[2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-4-oxo-chromen-3-yl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [2-(3-bromo-4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-4-oxochromen-3-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [2-(3-bromo-4-methoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C28H20BrNO7 MolecularWeight: 562.3649

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)CCCN4C(=O)C5=CC=CC=C5C4=O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)CCCN4C(=O)C5=CC=CC=C5C4=O)Br

InChI

InChI=1S/C28H20BrNO7/c1-35-22-13-12-16(15-20(22)29)25-26(24(32)19-9-4-5-10-21(19)36-25)37-23(31)11-6-14-30-27(33)17-7-2-3-8-18(17)28(30)34/h2-5,7-10,12-13,15H,6,11,14H2,1H3