(2-morpholin-4-yl-2-oxidanylidene-ethyl) 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C25H29N3O6 MolecularWeight: 467.51426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)N4CCOCC4

InChI

InChI=1S/C25H29N3O6/c29-24(27-12-14-33-15-13-27)18-34-25(30)22-17-21(28(31)32)6-7-23(22)26-10-8-20(9-11-26)16-19-4-2-1-3-5-19/h1-7,17,20H,8-16,18H2