[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-phenyl-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-phenyl-ethyl] 3-bromanylbenzoate Openeye Name: [2-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-phenyl-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[(6,7-dimethoxy-4-quinazolinyl)amino]-2-phenylethyl] ester IUPAC Name: [2-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-phenylethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-phenyl-ethyl] ester Formula: C25H22BrN3O4 MolecularWeight: 508.36388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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