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

Systemtic Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-propyl-amino]propanoic acid Openeye Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-propyl-amino]propanoic acid CAS Name: 3-[[2-(3-bromophenyl)-4-quinazolinyl]-propylamino]propanoic acid IUPAC Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-propylamino]propanoic acid Traditional Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-propyl-amino]propionic acid Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O2/c1-2-11-24(12-10-18(25)26)20-16-8-3-4-9-17(16)22-19(23-20)14-6-5-7-15(21)13-14/h3-9,13H,2,10-12H2,1H3,(H,25,26)