ethyl (3S)-1-(4-cyanophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-cyanophenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-cyanobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-cyanophenyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-cyanobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-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=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-2-21-16(20)14-4-3-9-18(11-14)15(19)13-7-5-12(10-17)6-8-13/h5-8,14H,2-4,9,11H2,1H3/t14-/m0/s1