3-[[3-(4-morpholin-4-yl-3-nitro-phenyl)phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-(4-morpholin-4-yl-3-nitro-phenyl)phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-(4-morpholino-3-nitro-phenyl)phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[4-(4-morpholinyl)-3-nitrophenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-(4-morpholin-4-yl-3-nitrophenyl)phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-(4-morpholino-3-nitro-phenyl)benzyl]-nicotinoyl-amino]propionic acid Formula: C26H26N4O6 MolecularWeight: 490.50784

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O6/c31-25(32)8-10-29(26(33)22-5-2-9-27-17-22)18-19-3-1-4-20(15-19)21-6-7-23(24(16-21)30(34)35)28-11-13-36-14-12-28/h1-7,9,15-17H,8,10-14,18H2,(H,31,32)