[(6,7-dimethoxyquinazolin-2-yl)-(phenylmethyl)amino]methyl 3-bromanylbenzoate

Systemtic Name: [(6,7-dimethoxyquinazolin-2-yl)-(phenylmethyl)amino]methyl 3-bromanylbenzoate Openeye Name: [benzyl-(6,7-dimethoxyquinazolin-2-yl)amino]methyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid [(6,7-dimethoxy-2-quinazolinyl)-(phenylmethyl)amino]methyl ester IUPAC Name: [benzyl-(6,7-dimethoxyquinazolin-2-yl)amino]methyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [benzyl-(6,7-dimethoxyquinazolin-2-yl)amino]methyl ester Formula: C25H22BrN3O4 MolecularWeight: 508.36388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NC(=N2)N(CC3=CC=CC=C3)COC(=O)C4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NC(=N2)N(CC3=CC=CC=C3)COC(=O)C4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C25H22BrN3O4/c1-31-22-12-19-14-27-25(28-21(19)13-23(22)32-2)29(15-17-7-4-3-5-8-17)16-33-24(30)18-9-6-10-20(26)11-18/h3-14H,15-16H2,1-2H3