ethyl (3S)-1-[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-piperidine-3-carboxylate CAS Name: (3S)-1-[(2R)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzylpiperidine-3-carboxylate Traditional Name: (3S)-1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-nipecotic acid ethyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)[C@@H](CC2=CNC3=CC=CC=C32)N)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3/c1-2-32-25(31)26(16-19-9-4-3-5-10-19)13-8-14-29(18-26)24(30)22(27)15-20-17-28-23-12-7-6-11-21(20)23/h3-7,9-12,17,22,28H,2,8,13-16,18,27H2,1H3/t22-,26+/m1/s1