4-[4-oxidanylidene-2-(phenylmethyl)quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[4-oxidanylidene-2-(phenylmethyl)quinazolin-3-yl]benzoic acid Openeye Name: 4-(2-benzyl-4-oxo-quinazolin-3-yl)benzoic acid CAS Name: 4-[4-oxo-2-(phenylmethyl)-3-quinazolinyl]benzoic acid IUPAC Name: 4-(2-benzyl-4-oxoquinazolin-3-yl)benzoic acid Traditional Name: 4-(2-benzyl-4-keto-quinazolin-3-yl)benzoic acid Formula: C22H16N2O3 MolecularWeight: 356.37404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16N2O3/c25-21-18-8-4-5-9-19(18)23-20(14-15-6-2-1-3-7-15)24(21)17-12-10-16(11-13-17)22(26)27/h1-13H,14H2,(H,26,27)