[2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [2-oxo-3-[oxo-(phenethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [2-keto-3-(phenethylcarbamoyl)chromen-7-yl] ester Formula: C28H24BrNO8 MolecularWeight: 582.39606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCCC4=CC=CC=C4)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCCC4=CC=CC=C4)Br)OC)OC

InChI

InChI=1S/C28H24BrNO8/c1-34-22-15-19(23(29)25(36-3)24(22)35-2)27(32)37-18-10-9-17-13-20(28(33)38-21(17)14-18)26(31)30-12-11-16-7-5-4-6-8-16/h4-10,13-15H,11-12H2,1-3H3,(H,30,31)