3-(4-bromophenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid

Systemtic Name: 3-(4-bromophenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid Openeye Name: 3-(4-bromophenyl)-3-[2-(2-pyridyl)ethylamino]-2-[[2-(2-pyridyl)ethylamino]methyl]propanoic acid CAS Name: 3-(4-bromophenyl)-3-[2-(2-pyridinyl)ethylamino]-2-[[2-(2-pyridinyl)ethylamino]methyl]propanoic acid IUPAC Name: 3-(4-bromophenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid Traditional Name: 3-(4-bromophenyl)-3-[2-(2-pyridyl)ethylamino]-2-[[2-(2-pyridyl)ethylamino]methyl]propionic acid Formula: C24H27BrN4O2 MolecularWeight: 483.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNCC(C(C2=CC=C(C=C2)Br)NCCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCNCC(C(C2=CC=C(C=C2)Br)NCCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C24H27BrN4O2/c25-19-9-7-18(8-10-19)23(29-16-12-21-6-2-4-14-28-21)22(24(30)31)17-26-15-11-20-5-1-3-13-27-20/h1-10,13-14,22-23,26,29H,11-12,15-17H2,(H,30,31)