methyl 4,5-dimethoxy-2-[[(3S)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[(3S)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[(3S)-3-methyl-1-oxo-isochromane-3-carbonyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[[(3S)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[(3S)-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoate Traditional Name: 2-[[(3S)-1-keto-3-methyl-isochroman-3-carbonyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C21H21NO7/c1-21(11-12-7-5-6-8-13(12)19(24)29-21)20(25)22-15-10-17(27-3)16(26-2)9-14(15)18(23)28-4/h5-10H,11H2,1-4H3,(H,22,25)/t21-/m0/s1