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

Systemtic Name: ethyl (3S)-1-[(2R)-2-azanyl-3-phenylmethoxy-propanoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-2-amino-3-benzyloxy-propanoyl]-3-benzyl-piperidine-3-carboxylate CAS Name: (3S)-1-[(2R)-2-amino-1-oxo-3-phenylmethoxypropyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-2-amino-3-phenylmethoxypropanoyl]-3-benzylpiperidine-3-carboxylate Traditional Name: (3S)-1-[(2R)-2-amino-3-benzoxy-propanoyl]-3-benzyl-nipecotic acid ethyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C(COCC2=CC=CC=C2)N)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)[C@@H](COCC2=CC=CC=C2)N)CC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O4/c1-2-31-24(29)25(16-20-10-5-3-6-11-20)14-9-15-27(19-25)23(28)22(26)18-30-17-21-12-7-4-8-13-21/h3-8,10-13,22H,2,9,14-19,26H2,1H3/t22-,25+/m1/s1