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

Systemtic Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-cyclohexyl-amino]propanoic acid Openeye Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-cyclohexyl-amino]propanoic acid CAS Name: 3-[[2-(3-bromophenyl)-4-quinazolinyl]-cyclohexylamino]propanoic acid IUPAC Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-cyclohexylamino]propanoic acid Traditional Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-cyclohexyl-amino]propionic acid Formula: C23H24BrN3O2 MolecularWeight: 454.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCC(=O)O)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)N(CCC(=O)O)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H24BrN3O2/c24-17-8-6-7-16(15-17)22-25-20-12-5-4-11-19(20)23(26-22)27(14-13-21(28)29)18-9-2-1-3-10-18/h4-8,11-12,15,18H,1-3,9-10,13-14H2,(H,28,29)