1-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(3-methylanilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(3-methylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-methylanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-keto-2-(m-toluidino)ethyl]nipecotic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-11-4-2-6-13(8-11)16-14(18)10-17-7-3-5-12(9-17)15(19)20/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,16,18)(H,19,20)