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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O3/c15-11-4-3-10(6-12(11)16)17-13(19)8-18-5-1-2-9(7-18)14(20)21/h3-4,6,9H,1-2,5,7-8,16H2,(H,17,19)(H,20,21)/t9-/m0/s1