2-[4-[[(2,6,7-trimethoxyquinazolin-4-yl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[(2,6,7-trimethoxyquinazolin-4-yl)amino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[(2,6,7-trimethoxyquinazolin-4-yl)amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[(2,6,7-trimethoxy-4-quinazolinyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[(2,6,7-trimethoxyquinazolin-4-yl)amino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[(2,6,7-trimethoxyquinazolin-4-yl)amino]methyl]phenyl]benzoic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)OC)NCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)OC)NCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)OC

InChI

InChI=1S/C25H23N3O5/c1-31-21-12-19-20(13-22(21)32-2)27-25(33-3)28-23(19)26-14-15-8-10-16(11-9-15)17-6-4-5-7-18(17)24(29)30/h4-13H,14H2,1-3H3,(H,29,30)(H,26,27,28)