dimethyl 2-[[(3S)-3,7-dimethyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(3S)-3,7-dimethyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(3S)-3,7-dimethyl-1-oxo-isochromane-3-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3S)-3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(3S)-3,7-dimethyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(3S)-1-keto-3,7-dimethyl-isochroman-3-carbonyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(OC2=O)(C)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)C=C1

Isomeric SMILES

CC1=CC2=C(C[C@@](OC2=O)(C)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)C=C1

InChI

InChI=1S/C22H21NO7/c1-12-5-6-14-11-22(2,30-20(26)16(14)9-12)21(27)23-17-10-13(18(24)28-3)7-8-15(17)19(25)29-4/h5-10H,11H2,1-4H3,(H,23,27)/t22-/m0/s1