methyl 3-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H24F3N3O5 MolecularWeight: 479.44897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H24F3N3O5/c1-34-21(30)14-18(15-5-3-2-4-6-15)27-22(31)16-9-11-28(12-10-16)19-8-7-17(23(24,25)26)13-20(19)29(32)33/h2-8,13,16,18H,9-12,14H2,1H3,(H,27,31)