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

Systemtic Name: [2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21N3O4/c1-14-6-5-7-15(2)21(14)25-19(26)12-23-20(27)13-29-22(28)18-11-10-16-8-3-4-9-17(16)24-18/h3-11H,12-13H2,1-2H3,(H,23,27)(H,25,26)