3-[[4-oxidanylidene-1-(phenylmethyl)quinazolin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-oxidanylidene-1-(phenylmethyl)quinazolin-2-yl]amino]benzoic acid Openeye Name: 3-[(1-benzyl-4-oxo-quinazolin-2-yl)amino]benzoic acid CAS Name: 3-[[4-oxo-1-(phenylmethyl)-2-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[(1-benzyl-4-oxoquinazolin-2-yl)amino]benzoic acid Traditional Name: 3-[(1-benzyl-4-keto-quinazolin-2-yl)amino]benzoic acid Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N=C2NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N=C2NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H17N3O3/c26-20-18-11-4-5-12-19(18)25(14-15-7-2-1-3-8-15)22(24-20)23-17-10-6-9-16(13-17)21(27)28/h1-13H,14H2,(H,27,28)(H,23,24,26)