1-[1-[(1-phenylindol-2-yl)methyl]piperidin-3-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-[(1-phenylindol-2-yl)methyl]piperidin-3-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-[(1-phenylindol-2-yl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[oxo-[1-[(1-phenyl-2-indolyl)methyl]-3-piperidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-[(1-phenylindol-2-yl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-[(1-phenylindol-2-yl)methyl]nipecotoyl]isonipecotic acid Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=CC=CC=C3N2C4=CC=CC=C4)C(=O)N5CCC(CC5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=CC=CC=C3N2C4=CC=CC=C4)C(=O)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C27H31N3O3/c31-26(29-15-12-20(13-16-29)27(32)33)22-8-6-14-28(18-22)19-24-17-21-7-4-5-11-25(21)30(24)23-9-2-1-3-10-23/h1-5,7,9-11,17,20,22H,6,8,12-16,18-19H2,(H,32,33)