[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2)OC

InChI

InChI=1S/C21H20N2O6/c1-27-18-8-7-13(9-19(18)28-2)11-22-20(25)12-29-21(26)16-10-17(24)14-5-3-4-6-15(14)23-16/h3-10H,11-12H2,1-2H3,(H,22,25)(H,23,24)