4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]benzoate

Systemtic Name: 4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]benzoate Openeye Name: 4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]benzoate CAS Name: 4-[[(6,7-dimethoxy-4-quinazolinyl)amino]methyl]benzoate IUPAC Name: 4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]benzoate Formula: C18H16N3O4- MolecularWeight: 338.33734

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-24-15-7-13-14(8-16(15)25-2)20-10-21-17(13)19-9-11-3-5-12(6-4-11)18(22)23/h3-8,10H,9H2,1-2H3,(H,22,23)(H,19,20,21)/p-1