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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O3/c15-12-6-11(4-3-9(12)7-16)17-14(21)18-5-1-2-10(8-18)13(19)20/h3-4,6,10H,1-2,5,8H2,(H,17,21)(H,19,20)