ethyl (3R)-1-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]piperidine-3-carboxylate CAS Name: (3R)-1-[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]nipecotic acid ethyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5/c1-2-31-24(29)21-14-9-15-27(17-21)23(28)22(16-19-10-5-3-6-11-19)26-25(30)32-18-20-12-7-4-8-13-20/h3-8,10-13,21-22H,2,9,14-18H2,1H3,(H,26,30)/t21-,22+/m1/s1