2-[6-bromanyl-3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)-4,5-bis(oxidanyl)indol-7-yl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[6-bromanyl-3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)-4,5-bis(oxidanyl)indol-7-yl]-3-oxidanylidene-butanoic acid Openeye Name: 2-[6-bromo-3-ethoxycarbonyl-4,5-dihydroxy-2-methyl-1-(p-tolyl)indol-7-yl]-3-oxo-butanoic acid CAS Name: 2-[6-bromo-3-ethoxycarbonyl-4,5-dihydroxy-2-methyl-1-(4-methylphenyl)-7-indolyl]-3-oxobutanoic acid IUPAC Name: 2-[6-bromo-3-ethoxycarbonyl-4,5-dihydroxy-2-methyl-1-(4-methylphenyl)indol-7-yl]-3-oxobutanoic acid Traditional Name: 2-[6-bromo-3-carbethoxy-4,5-dihydroxy-2-methyl-1-(p-tolyl)indol-7-yl]-3-keto-butyric acid Formula: C23H22BrNO7 MolecularWeight: 504.32728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2C(C(=O)C)C(=O)O)Br)O)O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2C(C(=O)C)C(=O)O)Br)O)O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C23H22BrNO7/c1-5-32-23(31)14-11(3)25(13-8-6-10(2)7-9-13)19-16(15(12(4)26)22(29)30)18(24)21(28)20(27)17(14)19/h6-9,15,27-28H,5H2,1-4H3,(H,29,30)