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

Systemtic Name: methyl 2-[[(3S)-3,7-dimethyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(3S)-3,7-dimethyl-1-oxo-isochromane-3-carbonyl]amino]benzoate CAS Name: 2-[[[(3S)-3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-3,7-dimethyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoate Traditional Name: 2-[[(3S)-1-keto-3,7-dimethyl-isochroman-3-carbonyl]amino]benzoic acid methyl ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(OC2=O)(C)C(=O)NC3=CC=CC=C3C(=O)OC)C=C1

Isomeric SMILES

CC1=CC2=C(C[C@@](OC2=O)(C)C(=O)NC3=CC=CC=C3C(=O)OC)C=C1

InChI

InChI=1S/C20H19NO5/c1-12-8-9-13-11-20(2,26-18(23)15(13)10-12)19(24)21-16-7-5-4-6-14(16)17(22)25-3/h4-10H,11H2,1-3H3,(H,21,24)/t20-/m0/s1