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

Systemtic Name: 2-[4-[2-(4-chlorophenyl)-4-oxidanylidene-quinazolin-3-yl]butoxy]benzoic acid Openeye Name: 2-[4-[2-(4-chlorophenyl)-4-oxo-quinazolin-3-yl]butoxy]benzoic acid CAS Name: 2-[4-[2-(4-chlorophenyl)-4-oxo-3-quinazolinyl]butoxy]benzoic acid IUPAC Name: 2-[4-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]butoxy]benzoic acid Traditional Name: 2-[4-[2-(4-chlorophenyl)-4-keto-quinazolin-3-yl]butoxy]benzoic acid Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)CCCCOC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)CCCCOC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H21ClN2O4/c26-18-13-11-17(12-14-18)23-27-21-9-3-1-7-19(21)24(29)28(23)15-5-6-16-32-22-10-4-2-8-20(22)25(30)31/h1-4,7-14H,5-6,15-16H2,(H,30,31)