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

Systemtic Name: 3-(4-nitrophenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid Openeye Name: 3-(4-nitrophenyl)-3-[2-(2-pyridyl)ethylamino]-2-[[2-(2-pyridyl)ethylamino]methyl]propanoic acid CAS Name: 3-(4-nitrophenyl)-3-[2-(2-pyridinyl)ethylamino]-2-[[2-(2-pyridinyl)ethylamino]methyl]propanoic acid IUPAC Name: 3-(4-nitrophenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid Traditional Name: 3-(4-nitrophenyl)-3-[2-(2-pyridyl)ethylamino]-2-[[2-(2-pyridyl)ethylamino]methyl]propionic acid Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNCC(C(C2=CC=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCNCC(C(C2=CC=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C24H27N5O4/c30-24(31)22(17-25-15-11-19-5-1-3-13-26-19)23(18-7-9-21(10-8-18)29(32)33)28-16-12-20-6-2-4-14-27-20/h1-10,13-14,22-23,25,28H,11-12,15-17H2,(H,30,31)