[3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 4-methoxybenzoate

Systemtic Name: [3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 4-methoxybenzoate Openeye Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-[(6-bromo-4-quinazolinyl)amino]phenyl] ester IUPAC Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-[(6-bromoquinazolin-4-yl)amino]phenyl] ester Formula: C22H16BrN3O3 MolecularWeight: 450.28474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O3/c1-28-17-8-5-14(6-9-17)22(27)29-18-4-2-3-16(12-18)26-21-19-11-15(23)7-10-20(19)24-13-25-21/h2-13H,1H3,(H,24,25,26)