3-(3,4-dichlorophenyl)-2-ethyl-4-naphthalen-2-yl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxylic acid

Systemtic Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-naphthalen-2-yl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-(2-naphthyl)-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-(2-naphthalenyl)-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-naphthalen-2-yl-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-(2-naphthyl)-2-pyrrolidin-3-yl-1-(3,4,5-trimethoxybenzoyl)isonipecotic acid Formula: C38H40Cl2N2O6 MolecularWeight: 691.64

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC4=CC=CC=C4C=C3)C(=O)O)C5=CC(=C(C=C5)Cl)Cl)C6CCNC6

Isomeric SMILES

CCC1(C(C(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC4=CC=CC=C4C=C3)C(=O)O)C5=CC(=C(C=C5)Cl)Cl)C6CCNC6

InChI

InChI=1S/C38H40Cl2N2O6/c1-5-38(28-14-16-41-22-28)34(25-11-13-29(39)30(40)19-25)37(36(44)45,27-12-10-23-8-6-7-9-24(23)18-27)15-17-42(38)35(43)26-20-31(46-2)33(48-4)32(21-26)47-3/h6-13,18-21,28,34,41H,5,14-17,22H2,1-4H3,(H,44,45)