4-[[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]methyl]benzoate

Systemtic Name: 4-[[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]methyl]benzoate Openeye Name: 4-[[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]methyl]benzoate CAS Name: 4-[[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]methyl]benzoate IUPAC Name: 4-[[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]methyl]benzoate Formula: C18H15ClN3O4- MolecularWeight: 372.7824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4/c1-25-14-7-12-13(8-15(14)26-2)21-18(19)22-16(12)20-9-10-3-5-11(6-4-10)17(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H,20,21,22)/p-1