2-azanyl-1-[3-(1H-indol-3-yl)propanoyl]-3-(phenylmethyl)piperidine-3-carboxylic acid

Systemtic Name: 2-azanyl-1-[3-(1H-indol-3-yl)propanoyl]-3-(phenylmethyl)piperidine-3-carboxylic acid Openeye Name: 2-amino-3-benzyl-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid CAS Name: 2-amino-1-[3-(1H-indol-3-yl)-1-oxopropyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid IUPAC Name: 2-amino-3-benzyl-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid Traditional Name: 2-amino-3-benzyl-1-[3-(1H-indol-3-yl)propanoyl]nipecotic acid Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)CCC2=CNC3=CC=CC=C32)N)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(C(N(C1)C(=O)CCC2=CNC3=CC=CC=C32)N)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H27N3O3/c25-22-24(23(29)30,15-17-7-2-1-3-8-17)13-6-14-27(22)21(28)12-11-18-16-26-20-10-5-4-9-19(18)20/h1-5,7-10,16,22,26H,6,11-15,25H2,(H,29,30)