[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O3/c1-3-15-9-7-10-16(4-2)21(15)24-20(25)14-27-22(26)19-13-12-17-8-5-6-11-18(17)23-19/h5-13H,3-4,14H2,1-2H3,(H,24,25)