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

Systemtic Name: 3-[[3-(4-morpholin-4-yl-3-nitro-phenyl)phenyl]methyl-pyridin-3-ylcarbonyl-amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(4-morpholino-3-nitro-phenyl)phenyl]methyl-(pyridine-3-carbonyl)amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[4-(4-morpholinyl)-3-nitrophenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(4-morpholin-4-yl-3-nitrophenyl)phenyl]methyl-(pyridine-3-carbonyl)amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(4-morpholino-3-nitro-phenyl)benzyl]-nicotinoyl-amino]-3-(3-pyridyl)propionic acid Formula: C31H29N5O6 MolecularWeight: 567.59186

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C(CC(=O)O)C4=CN=CC=C4)C(=O)C5=CN=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C(CC(=O)O)C4=CN=CC=C4)C(=O)C5=CN=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H29N5O6/c37-30(38)18-28(25-6-2-10-32-19-25)35(31(39)26-7-3-11-33-20-26)21-22-4-1-5-23(16-22)24-8-9-27(29(17-24)36(40)41)34-12-14-42-15-13-34/h1-11,16-17,19-20,28H,12-15,18,21H2,(H,37,38)