4-[[(6,7,8-trimethoxyquinazolin-4-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(6,7,8-trimethoxyquinazolin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(6,7,8-trimethoxyquinazolin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[(6,7,8-trimethoxy-4-quinazolinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(6,7,8-trimethoxyquinazolin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(6,7,8-trimethoxyquinazolin-4-yl)amino]methyl]benzoic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5/c1-25-14-8-13-15(17(27-3)16(14)26-2)21-10-22-18(13)20-9-11-4-6-12(7-5-11)19(23)24/h4-8,10H,9H2,1-3H3,(H,23,24)(H,20,21,22)