ethyl (3S)-1-(3-cyanophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3-cyanophenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-cyanobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3-cyanophenyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-cyanobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3-cyanobenzoyl)nipecotic acid ethyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-2-21-16(20)14-7-4-8-18(11-14)15(19)13-6-3-5-12(9-13)10-17/h3,5-6,9,14H,2,4,7-8,11H2,1H3/t14-/m0/s1