3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-1-pyridin-2-ylcarbonyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid

Systemtic Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-1-pyridin-2-ylcarbonyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid Openeye Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-1-(pyridine-2-carbonyl)-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid CAS Name: 3-(3,4-dichlorophenyl)-2-ethyl-1-[oxo(2-pyridinyl)methyl]-4-phenyl-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-1-(pyridine-2-carbonyl)-2-pyrrolidin-3-ylpiperidine-4-carboxylic acid Traditional Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-1-picolinoyl-2-pyrrolidin-3-yl-isonipecotic acid Formula: C30H31Cl2N3O3 MolecularWeight: 552.49144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CCN1C(=O)C2=CC=CC=N2)(C3=CC=CC=C3)C(=O)O)C4=CC(=C(C=C4)Cl)Cl)C5CCNC5

Isomeric SMILES

CCC1(C(C(CCN1C(=O)C2=CC=CC=N2)(C3=CC=CC=C3)C(=O)O)C4=CC(=C(C=C4)Cl)Cl)C5CCNC5

InChI

InChI=1S/C30H31Cl2N3O3/c1-2-30(22-13-16-33-19-22)26(20-11-12-23(31)24(32)18-20)29(28(37)38,21-8-4-3-5-9-21)14-17-35(30)27(36)25-10-6-7-15-34-25/h3-12,15,18,22,26,33H,2,13-14,16-17,19H2,1H3,(H,37,38)