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

Systemtic Name: 4-[5-chloranyl-1-[5-(4-chlorophenyl)pyrimidin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-chloro-1-[5-(4-chlorophenyl)pyrimidin-2-yl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-chloro-1-[5-(4-chlorophenyl)-2-pyrimidinyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-chloro-1-[5-(4-chlorophenyl)pyrimidin-2-yl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-chloro-1-[5-(4-chlorophenyl)pyrimidin-2-yl]indol-3-yl]-4-keto-butyric acid Formula: C22H15Cl2N3O3 MolecularWeight: 440.2788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N=C2)N3C=C(C4=C3C=CC(=C4)Cl)C(=O)CCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N=C2)N3C=C(C4=C3C=CC(=C4)Cl)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C22H15Cl2N3O3/c23-15-3-1-13(2-4-15)14-10-25-22(26-11-14)27-12-18(20(28)7-8-21(29)30)17-9-16(24)5-6-19(17)27/h1-6,9-12H,7-8H2,(H,29,30)