3-[2,5-dimethyl-3-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]-2-methyl-benzoic acid

Systemtic Name: 3-[2,5-dimethyl-3-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]-2-methyl-benzoic acid Openeye Name: 3-[2,5-dimethyl-3-[(4-oxo-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]-2-methyl-benzoic acid CAS Name: 3-[2,5-dimethyl-3-[(4-oxo-2-phenyl-3-quinazolinyl)iminomethyl]-1-pyrrolyl]-2-methylbenzoic acid IUPAC Name: 3-[2,5-dimethyl-3-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]pyrrol-1-yl]-2-methylbenzoic acid Traditional Name: 3-[3-[(4-keto-2-phenyl-quinazolin-3-yl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid Formula: C29H24N4O3 MolecularWeight: 476.52586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O3/c1-18-16-22(20(3)32(18)26-15-9-13-23(19(26)2)29(35)36)17-30-33-27(21-10-5-4-6-11-21)31-25-14-8-7-12-24(25)28(33)34/h4-17H,1-3H3,(H,35,36)