[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 3-methyl-1-oxo-isochromane-3-carboxylate CAS Name: 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 3-methyl-1-oxo-4H-isochromene-3-carboxylate Traditional Name: 1-keto-3-methyl-isochroman-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2(CC3=CC=CC=C3C(=O)O2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2(CC3=CC=CC=C3C(=O)O2)C)C

InChI

InChI=1S/C21H21NO5/c1-13-8-9-16(10-14(13)2)22-18(23)12-26-20(25)21(3)11-15-6-4-5-7-17(15)19(24)27-21/h4-10H,11-12H2,1-3H3,(H,22,23)