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

Systemtic Name: 4-[2-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[(4-oxo-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[(4-oxo-2-phenyl-3-quinazolinyl)iminomethyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[(4-keto-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzoic acid Formula: C26H18N4O3 MolecularWeight: 434.44612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N=CC4=CC=CN4C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N=CC4=CC=CN4C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H18N4O3/c31-25-22-10-4-5-11-23(22)28-24(18-7-2-1-3-8-18)30(25)27-17-21-9-6-16-29(21)20-14-12-19(13-15-20)26(32)33/h1-17H,(H,32,33)