4-[5-chloranyl-1-(2,6-diphenylpyrimidin-4-yl)indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-chloranyl-1-(2,6-diphenylpyrimidin-4-yl)indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-chloro-1-(2,6-diphenylpyrimidin-4-yl)indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-chloro-1-(2,6-diphenyl-4-pyrimidinyl)-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-chloro-1-(2,6-diphenylpyrimidin-4-yl)indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-chloro-1-(2,6-diphenylpyrimidin-4-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)C3=CC=CC=C3)N4C=C(C5=C4C=CC(=C5)Cl)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)N4C=C(C5=C4C=CC(=C5)Cl)C(=O)CCC(=O)O

InChI

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