methyl 2-[[(3S)-7-chloranyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[(3S)-7-chloranyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[(3S)-7-chloro-3-methyl-1-oxo-isochromane-3-carbonyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[(3S)-7-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-7-chloro-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[(3S)-7-chloro-1-keto-3-methyl-isochroman-3-carbonyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H20ClNO7 MolecularWeight: 433.839

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)Cl)C(=O)O1)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

C[C@]1(CC2=C(C=C(C=C2)Cl)C(=O)O1)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C21H20ClNO7/c1-21(10-11-5-6-12(22)7-13(11)19(25)30-21)20(26)23-15-9-17(28-3)16(27-2)8-14(15)18(24)29-4/h5-9H,10H2,1-4H3,(H,23,26)/t21-/m0/s1