1-[2-[(3-azanyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(3-azanyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-amino-4-chloro-anilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(3-amino-4-chloroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-amino-4-chloroanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3-amino-4-chloro-anilino)-2-keto-ethyl]isonipecotic acid Formula: C14H18ClN3O3 MolecularWeight: 311.76402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O3/c15-11-2-1-10(7-12(11)16)17-13(19)8-18-5-3-9(4-6-18)14(20)21/h1-2,7,9H,3-6,8,16H2,(H,17,19)(H,20,21)