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

Systemtic Name: 1-[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(3-ethylanilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(3-ethylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-ethylanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(3-ethylanilino)-2-keto-ethyl]nipecotic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H22N2O3/c1-2-12-5-3-7-14(9-12)17-15(19)11-18-8-4-6-13(10-18)16(20)21/h3,5,7,9,13H,2,4,6,8,10-11H2,1H3,(H,17,19)(H,20,21)