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

Systemtic Name: 3-[cyclopropylcarbonyl-[[3-(4-morpholin-4-yl-3-nitro-phenyl)phenyl]methyl]amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[cyclopropanecarbonyl-[[3-(4-morpholino-3-nitro-phenyl)phenyl]methyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[cyclopropyl(oxo)methyl]-[[3-[4-(4-morpholinyl)-3-nitrophenyl]phenyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[cyclopropanecarbonyl-[[3-(4-morpholin-4-yl-3-nitrophenyl)phenyl]methyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[cyclopropanecarbonyl-[3-(4-morpholino-3-nitro-phenyl)benzyl]amino]-3-(3-pyridyl)propionic acid Formula: C29H30N4O6 MolecularWeight: 530.5717

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(CC(=O)O)C5=CN=CC=C5

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(CC(=O)O)C5=CN=CC=C5

InChI

InChI=1S/C29H30N4O6/c34-28(35)17-26(24-5-2-10-30-18-24)32(29(36)21-6-7-21)19-20-3-1-4-22(15-20)23-8-9-25(27(16-23)33(37)38)31-11-13-39-14-12-31/h1-5,8-10,15-16,18,21,26H,6-7,11-14,17,19H2,(H,34,35)