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

Systemtic Name: 4-[5-cyano-1-(4,6-diphenylpyrimidin-2-yl)indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-cyano-1-(4,6-diphenylpyrimidin-2-yl)indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-cyano-1-(4,6-diphenyl-2-pyrimidinyl)-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-cyano-1-(4,6-diphenylpyrimidin-2-yl)indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-cyano-1-(4,6-diphenylpyrimidin-2-yl)indol-3-yl]-4-keto-butyric acid Formula: C29H20N4O3 MolecularWeight: 472.4941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H20N4O3/c30-17-19-11-12-26-22(15-19)23(27(34)13-14-28(35)36)18-33(26)29-31-24(20-7-3-1-4-8-20)16-25(32-29)21-9-5-2-6-10-21/h1-12,15-16,18H,13-14H2,(H,35,36)