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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CC3=C(C=CC(=C3)C)C(=O)O2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CC3=C(C=CC(=C3)C)C(=O)O2)C

InChI

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