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

Systemtic Name: methyl 2-[(3-methyl-1-oxidanylidene-6-propan-2-yl-4H-isochromen-3-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(6-isopropyl-3-methyl-1-oxo-isochromane-3-carbonyl)amino]benzoate CAS Name: 2-[[(3-methyl-1-oxo-6-propan-2-yl-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carbonyl)amino]benzoate Traditional Name: 2-[(6-isopropyl-1-keto-3-methyl-isochroman-3-carbonyl)amino]benzoic acid methyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-13(2)14-9-10-16-15(11-14)12-22(3,28-20(16)25)21(26)23-18-8-6-5-7-17(18)19(24)27-4/h5-11,13H,12H2,1-4H3,(H,23,26)