dimethyl 2-[[(3S)-3-(4-methylphenyl)-1-oxidanylidene-3,4-dihydroisochromen-6-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(3S)-3-(4-methylphenyl)-1-oxidanylidene-3,4-dihydroisochromen-6-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(3S)-1-oxo-3-(p-tolyl)isochromane-6-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3S)-3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-yl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(3S)-3-(4-methylphenyl)-1-oxo-3,4-dihydroisochromene-6-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(3S)-1-keto-3-(p-tolyl)isochroman-6-carbonyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC)C(=O)O2

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC)C(=O)O2

InChI

InChI=1S/C27H23NO7/c1-15-4-6-16(7-5-15)23-14-19-12-17(8-10-20(19)27(32)35-23)24(29)28-22-13-18(25(30)33-2)9-11-21(22)26(31)34-3/h4-13,23H,14H2,1-3H3,(H,28,29)/t23-/m0/s1