3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-pyrrolidinyl ester, monohydrochloride, [R-(R*,S*)]-
CAS Registry Number®
104831-94-9
CAS Name
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-pyrrolidinyl ester, monohydrochloride, [R-(R*,S*)]-Molecular Formula
C27H29N3O6.ClHCite this Page
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-pyrrolidinyl ester, monohydrochloride, [R-(R*,S*)]-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=104831-94-9 (retrieved ) (CAS RN: 104831-94-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H29N3O6.ClH/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19;/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3;1H/t22-,25+;/m1./s1
InChIKey
InChIKey=XEMPUKIZUCIZEY-RXTBOWBCSA-N
SMILES
C(O[C@H]1CN(CC2=CC=CC=C2)CC1)(=O)C=3[C@H](C(C(OC)=O)=C(C)NC3C)C4=CC(N(=O)=O)=CC=C4.Cl
Canonical SMILES
Cl.O=C(OC)C1=C(NC(=C(C(=O)OC2CN(CC=3C=CC=CC3)CC2)C1C=4C=CC=C(C4)N(=O)=O)C)C
Other Names for this Substance
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-pyrrolidinyl ester, monohydrochloride, [R-(R*,S*)]-
