[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-[(1-benzyl-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O6/c30-24(26-21-8-10-27(11-9-21)17-19-4-2-1-3-5-19)18-35-25(31)20-6-7-22(23(16-20)29(32)33)28-12-14-34-15-13-28/h1-7,16,21H,8-15,17-18H2,(H,26,30)