methyl 2-[(6-ethyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(6-ethyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(6-ethyl-3-methyl-1-oxo-isochromane-3-carbonyl)amino]benzoate CAS Name: 2-[[(6-ethyl-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-ethyl-3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoate Traditional Name: 2-[(6-ethyl-1-keto-3-methyl-isochroman-3-carbonyl)amino]benzoic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H21NO5/c1-4-13-9-10-15-14(11-13)12-21(2,27-19(15)24)20(25)22-17-8-6-5-7-16(17)18(23)26-3/h5-11H,4,12H2,1-3H3,(H,22,25)