3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]propanoic acid

Systemtic Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]propanoic acid Openeye Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-isobutyl-amino]propanoic acid CAS Name: 3-[[2-(3-bromophenyl)-4-quinazolinyl]-(2-methylpropyl)amino]propanoic acid IUPAC Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]propanoic acid Traditional Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-isobutyl-amino]propionic acid Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(=O)O)C1=NC(=NC2=CC=CC=C21)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)CN(CCC(=O)O)C1=NC(=NC2=CC=CC=C21)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c1-14(2)13-25(11-10-19(26)27)21-17-8-3-4-9-18(17)23-20(24-21)15-6-5-7-16(22)12-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,26,27)