methyl 2-[(3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[(8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)O)C(=O)O1

Isomeric SMILES

CC1CC2=C(C(=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)O)C(=O)O1

InChI

InChI=1S/C21H21NO6/c1-12-10-14-8-9-15(18(23)17(14)21(26)28-12)19(24)22-16(20(25)27-2)11-13-6-4-3-5-7-13/h3-9,12,16,23H,10-11H2,1-2H3,(H,22,24)