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

Systemtic Name: 4-[1-(6-chloranyl-4-phenyl-quinazolin-2-yl)indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-(6-chloro-4-phenyl-quinazolin-2-yl)indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[1-(6-chloro-4-phenyl-2-quinazolinyl)-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[1-(6-chloro-4-phenylquinazolin-2-yl)indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[1-(6-chloro-4-phenyl-quinazolin-2-yl)indol-3-yl]-4-keto-butyric acid Formula: C26H18ClN3O3 MolecularWeight: 455.89242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N4C=C(C5=CC=CC=C54)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N4C=C(C5=CC=CC=C54)C(=O)CCC(=O)O

InChI

InChI=1S/C26H18ClN3O3/c27-17-10-11-21-19(14-17)25(16-6-2-1-3-7-16)29-26(28-21)30-15-20(23(31)12-13-24(32)33)18-8-4-5-9-22(18)30/h1-11,14-15H,12-13H2,(H,32,33)