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

Systemtic Name: 3-[cyclopropylcarbonyl-[[3-(4-morpholin-4-yl-3-nitro-phenyl)phenyl]methyl]amino]propanoic acid Openeye Name: 3-[cyclopropanecarbonyl-[[3-(4-morpholino-3-nitro-phenyl)phenyl]methyl]amino]propanoic acid CAS Name: 3-[[cyclopropyl(oxo)methyl]-[[3-[4-(4-morpholinyl)-3-nitrophenyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[cyclopropanecarbonyl-[[3-(4-morpholin-4-yl-3-nitrophenyl)phenyl]methyl]amino]propanoic acid Traditional Name: 3-[cyclopropanecarbonyl-[3-(4-morpholino-3-nitro-phenyl)benzyl]amino]propionic acid Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CCC(=O)O)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N(CCC(=O)O)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O6/c28-23(29)8-9-26(24(30)18-4-5-18)16-17-2-1-3-19(14-17)20-6-7-21(22(15-20)27(31)32)25-10-12-33-13-11-25/h1-3,6-7,14-15,18H,4-5,8-13,16H2,(H,28,29)