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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)(CC4=CC=CC=C4)C(=O)O

InChI

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