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

Systemtic Name: 3-[2,5-dimethyl-3-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2,5-dimethyl-3-[(4-oxo-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2,5-dimethyl-3-[(4-oxo-2-phenyl-3-quinazolinyl)iminomethyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2,5-dimethyl-3-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[3-[(4-keto-2-phenyl-quinazolin-3-yl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C28H22N4O3/c1-18-15-22(19(2)31(18)23-12-8-11-21(16-23)28(34)35)17-29-32-26(20-9-4-3-5-10-20)30-25-14-7-6-13-24(25)27(32)33/h3-17H,1-2H3,(H,34,35)