4-[6-chloranyl-1-(4,6-diphenylpyrimidin-2-yl)indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[6-chloranyl-1-(4,6-diphenylpyrimidin-2-yl)indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[6-chloro-1-(4,6-diphenylpyrimidin-2-yl)indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[6-chloro-1-(4,6-diphenyl-2-pyrimidinyl)-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[6-chloro-1-(4,6-diphenylpyrimidin-2-yl)indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[6-chloro-1-(4,6-diphenylpyrimidin-2-yl)indol-3-yl]-4-keto-butyric acid Formula: C28H20ClN3O3 MolecularWeight: 481.9297

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=C(C4=C3C=C(C=C4)Cl)C(=O)CCC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=C(C4=C3C=C(C=C4)Cl)C(=O)CCC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C28H20ClN3O3/c29-20-11-12-21-22(26(33)13-14-27(34)35)17-32(25(21)15-20)28-30-23(18-7-3-1-4-8-18)16-24(31-28)19-9-5-2-6-10-19/h1-12,15-17H,13-14H2,(H,34,35)