1-[(3-chloranyl-4-cyano-phenyl)carbamoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-chloranyl-4-cyano-phenyl)carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-chloro-4-cyano-phenyl)carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-chloro-4-cyanoanilino)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-chloro-4-cyanophenyl)carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-chloro-4-cyano-phenyl)carbamoyl]isonipecotic acid Formula: C14H14ClN3O3 MolecularWeight: 307.73226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C14H14ClN3O3/c15-12-7-11(2-1-10(12)8-16)17-14(21)18-5-3-9(4-6-18)13(19)20/h1-2,7,9H,3-6H2,(H,17,21)(H,19,20)