1-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-cyanoanilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(4-cyanoanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(4-cyanoanilino)-2-keto-ethyl]nipecotic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC(=O)NC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C15H17N3O3/c16-8-11-3-5-13(6-4-11)17-14(19)10-18-7-1-2-12(9-18)15(20)21/h3-6,12H,1-2,7,9-10H2,(H,17,19)(H,20,21)