[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] (3R)-1-oxoisochromane-3-carboxylate CAS Name: (3R)-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] (3R)-1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: (3R)-1-ketoisochroman-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C20H19NO5/c1-12-7-8-15(9-13(12)2)21-18(22)11-25-20(24)17-10-14-5-3-4-6-16(14)19(23)26-17/h3-9,17H,10-11H2,1-2H3,(H,21,22)/t17-/m1/s1