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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: 3-phenyl-2-phthalimido-propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C29H23NO6 MolecularWeight: 481.49602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C29H23NO6/c1-17-12-13-21-20(15-25(31)36-26(21)18(17)2)16-35-29(34)24(14-19-8-4-3-5-9-19)30-27(32)22-10-6-7-11-23(22)28(30)33/h3-13,15,24H,14,16H2,1-2H3