1-[2-[3-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[3-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-phenyl-3-pyrrolidinyl]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]isonipecotic acid Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H36N2O6/c1-34-23-17-21(18-24(35-2)25(23)36-3)26(31)30-16-12-28(19-30,22-7-5-4-6-8-22)11-15-29-13-9-20(10-14-29)27(32)33/h4-8,17-18,20H,9-16,19H2,1-3H3,(H,32,33)