1-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2,4-dimethoxyanilino)-2-keto-ethyl]isonipecotic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)O)OC

InChI

InChI=1S/C16H22N2O5/c1-22-12-3-4-13(14(9-12)23-2)17-15(19)10-18-7-5-11(6-8-18)16(20)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,19)(H,20,21)