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

Systemtic Name: 3-(4-bromophenyl)-3-(pyridin-2-ylmethylamino)-2-[(pyridin-2-ylmethylamino)methyl]propanoic acid Openeye Name: 3-(4-bromophenyl)-3-(2-pyridylmethylamino)-2-[(2-pyridylmethylamino)methyl]propanoic acid CAS Name: 3-(4-bromophenyl)-3-(2-pyridinylmethylamino)-2-[(2-pyridinylmethylamino)methyl]propanoic acid IUPAC Name: 3-(4-bromophenyl)-3-(pyridin-2-ylmethylamino)-2-[(pyridin-2-ylmethylamino)methyl]propanoic acid Traditional Name: 3-(4-bromophenyl)-3-(2-pyridylmethylamino)-2-[(2-pyridylmethylamino)methyl]propionic acid Formula: C22H23BrN4O2 MolecularWeight: 455.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCC(C(C2=CC=C(C=C2)Br)NCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNCC(C(C2=CC=C(C=C2)Br)NCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C22H23BrN4O2/c23-17-9-7-16(8-10-17)21(27-14-19-6-2-4-12-26-19)20(22(28)29)15-24-13-18-5-1-3-11-25-18/h1-12,20-21,24,27H,13-15H2,(H,28,29)