4-[5-chloranyl-1-[6-(4-chlorophenyl)-2-phenyl-pyrimidin-4-yl]indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-chloranyl-1-[6-(4-chlorophenyl)-2-phenyl-pyrimidin-4-yl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-chloro-1-[6-(4-chlorophenyl)-2-phenyl-pyrimidin-4-yl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-chloro-1-[6-(4-chlorophenyl)-2-phenyl-4-pyrimidinyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-chloro-1-[6-(4-chlorophenyl)-2-phenylpyrimidin-4-yl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-chloro-1-[6-(4-chlorophenyl)-2-phenyl-pyrimidin-4-yl]indol-3-yl]-4-keto-butyric acid Formula: C28H19Cl2N3O3 MolecularWeight: 516.37476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H19Cl2N3O3/c29-19-8-6-17(7-9-19)23-15-26(32-28(31-23)18-4-2-1-3-5-18)33-16-22(25(34)12-13-27(35)36)21-14-20(30)10-11-24(21)33/h1-11,14-16H,12-13H2,(H,35,36)