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

Systemtic Name: 4-[5-chloranyl-1-(3-cyano-4,6-diphenyl-pyridin-2-yl)indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-chloro-1-(3-cyano-4,6-diphenyl-2-pyridyl)indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-chloro-1-(3-cyano-4,6-diphenyl-2-pyridinyl)-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-chloro-1-(3-cyano-4,6-diphenylpyridin-2-yl)indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-chloro-1-(3-cyano-4,6-diphenyl-2-pyridyl)indol-3-yl]-4-keto-butyric acid Formula: C30H20ClN3O3 MolecularWeight: 505.9511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3C=C(C4=C3C=CC(=C4)Cl)C(=O)CCC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3C=C(C4=C3C=CC(=C4)Cl)C(=O)CCC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C30H20ClN3O3/c31-21-11-12-27-23(15-21)25(28(35)13-14-29(36)37)18-34(27)30-24(17-32)22(19-7-3-1-4-8-19)16-26(33-30)20-9-5-2-6-10-20/h1-12,15-16,18H,13-14H2,(H,36,37)