(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C24H21NO6 MolecularWeight: 419.42664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C24H21NO6/c1-14-7-8-18-17(12-22(28)31-23(18)15(14)2)13-30-21(27)9-10-25-20(26)11-16-5-3-4-6-19(16)24(25)29/h3-8,12H,9-11,13H2,1-2H3