ethyl (3S)-1-(4-ethanoylphenyl)carbonyl-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-ethanoylphenyl)carbonyl-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-acetylbenzoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-acetylphenyl)-oxomethyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-acetylbenzoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-acetylbenzoyl)-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(C=C2)C(=O)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CC=C(C=C2)C(=O)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H31NO4/c1-3-31-25(30)26(16-7-11-21-9-5-4-6-10-21)17-8-18-27(19-26)24(29)23-14-12-22(13-15-23)20(2)28/h4-6,9-10,12-15H,3,7-8,11,16-19H2,1-2H3/t26-/m0/s1