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

Systemtic Name: 4-[5-chloranyl-1-[4-(3-methoxyphenyl)-6-phenyl-pyrimidin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-chloro-1-[4-(3-methoxyphenyl)-6-phenyl-pyrimidin-2-yl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-chloro-1-[4-(3-methoxyphenyl)-6-phenyl-2-pyrimidinyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-chloro-1-[4-(3-methoxyphenyl)-6-phenylpyrimidin-2-yl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-chloro-1-[4-(3-methoxyphenyl)-6-phenyl-pyrimidin-2-yl]indol-3-yl]-4-keto-butyric acid Formula: C29H22ClN3O4 MolecularWeight: 511.95568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N4C=C(C5=C4C=CC(=C5)Cl)C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N4C=C(C5=C4C=CC(=C5)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C29H22ClN3O4/c1-37-21-9-5-8-19(14-21)25-16-24(18-6-3-2-4-7-18)31-29(32-25)33-17-23(27(34)12-13-28(35)36)22-15-20(30)10-11-26(22)33/h2-11,14-17H,12-13H2,1H3,(H,35,36)