(3S)-1-[(4-cyanophenyl)carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(4-cyanophenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(4-cyanophenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(4-cyanoanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(4-cyanophenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(4-cyanophenyl)carbamoyl]nipecotic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C14H15N3O3/c15-8-10-3-5-12(6-4-10)16-14(20)17-7-1-2-11(9-17)13(18)19/h3-6,11H,1-2,7,9H2,(H,16,20)(H,18,19)/t11-/m0/s1