3-[2-[3,4-bis(chloranyl)pyrrolidin-3-yl]-1-(2-methoxyphenyl)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 3-[2-[3,4-bis(chloranyl)pyrrolidin-3-yl]-1-(2-methoxyphenyl)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 3-[1-benzyl-1-(3,4-dichloropyrrolidin-3-yl)-2-(2-methoxyphenyl)-2-oxo-ethyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 3-[2-(3,4-dichloro-3-pyrrolidinyl)-1-(2-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 3-[2-(3,4-dichloropyrrolidin-3-yl)-1-(2-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 3-[1-benzyl-1-(3,4-dichloropyrrolidin-3-yl)-2-keto-2-(2-methoxyphenyl)ethyl]-4-phenyl-isonipecotic acid Formula: C32H34Cl2N2O4 MolecularWeight: 581.52936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C(CC2=CC=CC=C2)(C3CNCCC3(C4=CC=CC=C4)C(=O)O)C5(CNCC5Cl)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)C(CC2=CC=CC=C2)(C3CNCCC3(C4=CC=CC=C4)C(=O)O)C5(CNCC5Cl)Cl

InChI

InChI=1S/C32H34Cl2N2O4/c1-40-25-15-9-8-14-24(25)28(37)31(18-22-10-4-2-5-11-22,32(34)21-36-20-27(32)33)26-19-35-17-16-30(26,29(38)39)23-12-6-3-7-13-23/h2-15,26-27,35-36H,16-21H2,1H3,(H,38,39)