(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-isoindoline-5-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C28H21NO6 MolecularWeight: 467.46944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H21NO6/c1-16-8-10-21-20(13-24(30)35-25(21)17(16)2)15-34-28(33)19-9-11-22-23(12-19)27(32)29(26(22)31)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3