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

Systemtic Name: (3S)-1-(4-cyanophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(4-cyanobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-cyanophenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(4-cyanobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-cyanobenzoyl)nipecotate Formula: C14H13N2O3- MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C#N)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C14H14N2O3/c15-8-10-3-5-11(6-4-10)13(17)16-7-1-2-12(9-16)14(18)19/h3-6,12H,1-2,7,9H2,(H,18,19)/p-1/t12-/m0/s1