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

Systemtic Name: 1-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]nipecotic acid Formula: C15H19ClN2O3 MolecularWeight: 310.77596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCCC(C2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCCC(C2)C(=O)O)Cl

InChI

InChI=1S/C15H19ClN2O3/c1-10-4-5-12(7-13(10)16)17-14(19)9-18-6-2-3-11(8-18)15(20)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)(H,20,21)