[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)OCC

InChI

InChI=1S/C22H22N2O5/c1-3-27-19-12-10-16(13-20(19)28-4-2)23-21(25)14-29-22(26)18-11-9-15-7-5-6-8-17(15)24-18/h5-13H,3-4,14H2,1-2H3,(H,23,25)