1-Piperazinecarboxylic acid, 4-[2-(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester, (2E)-2-butenedioate (1:1)
CAS Registry Number®
126766-32-3
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CAS Name
1-Piperazinecarboxylic acid, 4-[2-(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester, (2E)-2-butenedioate (1:1)Molecular Formula
C19H25Cl2N3O3.C4H4O4Cite this Page
1-Piperazinecarboxylic acid, 4-[2-(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester, (2E)-2-butenedioate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=126766-32-3 (retrieved ) (CAS RN: 126766-32-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C19H25Cl2N3O3.C4H4O4/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14;5-3(6)1-2-4(7)8/h4-5,10,15H,2-3,6-9,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
InChIKey=ABTNETSDXZBJTE-WLHGVMLRSA-N
SMILES
C(CC1=CC(Cl)=C(Cl)C=C1)(=O)N2C(CN3CCCC3)CN(C(OC)=O)CC2.C(=C/C(O)=O)\C(O)=O
Canonical SMILES
O=C(O)C=CC(=O)O.O=C(OC)N1CCN(C(=O)CC2=CC=C(Cl)C(Cl)=C2)C(C1)CN3CCCC3
Other Names for this Substance
- 1-Piperazinecarboxylic acid, 4-[2-(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester, (2E)-2-butenedioate (1:1)
- 1-Piperazinecarboxylic acid, 4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester, (E)-2-butenedioate (1:1)
- 1-Piperazinecarboxylic acid, 4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester, (2E)-2-butenedioate (1:1)
- GR 89696
Deleted or Replaced CAS Registry Numbers
149996-46-3
