4-[1-[4,6-bis(3-methoxyphenyl)pyrimidin-2-yl]-5-bromanyl-indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-[4,6-bis(3-methoxyphenyl)pyrimidin-2-yl]-5-bromanyl-indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[4,6-bis(3-methoxyphenyl)pyrimidin-2-yl]-5-bromo-indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[1-[4,6-bis(3-methoxyphenyl)-2-pyrimidinyl]-5-bromo-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[1-[4,6-bis(3-methoxyphenyl)pyrimidin-2-yl]-5-bromoindol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[1-[4,6-bis(3-methoxyphenyl)pyrimidin-2-yl]-5-bromo-indol-3-yl]-4-keto-butyric acid Formula: C30H24BrN3O5 MolecularWeight: 586.43266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3C=C(C4=C3C=CC(=C4)Br)C(=O)CCC(=O)O)C5=CC(=CC=C5)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3C=C(C4=C3C=CC(=C4)Br)C(=O)CCC(=O)O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C30H24BrN3O5/c1-38-21-7-3-5-18(13-21)25-16-26(19-6-4-8-22(14-19)39-2)33-30(32-25)34-17-24(28(35)11-12-29(36)37)23-15-20(31)9-10-27(23)34/h3-10,13-17H,11-12H2,1-2H3,(H,36,37)