4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]benzoic acid hydrochloride

Systemtic Name: 4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]benzoic acid hydrochloride Openeye Name: 4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]benzoic acid hydrochloride CAS Name: 4-[[(6,7-dimethoxy-4-quinazolinyl)amino]methyl]benzoic acid hydrochloride IUPAC Name: 4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]benzoic acid hydrochloride Traditional Name: 4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]benzoic acid hydrochloride Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4.ClH/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);1H