ethyl (3S)-1-[(2R)-2-azanyl-5-phenyl-pentanoyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2R)-2-azanyl-5-phenyl-pentanoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-2-amino-5-phenyl-pentanoyl]-3-benzyl-piperidine-3-carboxylate CAS Name: (3S)-1-[(2R)-2-amino-1-oxo-5-phenylpentyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-2-amino-5-phenylpentanoyl]-3-benzylpiperidine-3-carboxylate Traditional Name: (3S)-1-[(2R)-2-amino-5-phenyl-pentanoyl]-3-benzyl-nipecotic acid ethyl ester Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C(CCCC2=CC=CC=C2)N)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)[C@@H](CCCC2=CC=CC=C2)N)CC3=CC=CC=C3

InChI

InChI=1S/C26H34N2O3/c1-2-31-25(30)26(19-22-13-7-4-8-14-22)17-10-18-28(20-26)24(29)23(27)16-9-15-21-11-5-3-6-12-21/h3-8,11-14,23H,2,9-10,15-20,27H2,1H3/t23-,26+/m1/s1