(5-oxidanylidenepyrrolidin-2-yl)methyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: (5-oxidanylidenepyrrolidin-2-yl)methyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: (5-oxopyrrolidin-2-yl)methyl 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid (5-oxo-2-pyrrolidinyl)methyl ester IUPAC Name: (5-oxopyrrolidin-2-yl)methyl 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid (5-ketopyrrolidin-2-yl)methyl ester Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)NC1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5/c28-23-9-6-19(25-23)16-32-24(29)21-15-20(27(30)31)7-8-22(21)26-12-10-18(11-13-26)14-17-4-2-1-3-5-17/h1-5,7-8,15,18-19H,6,9-14,16H2,(H,25,28)