(3-methyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O5/c1-16-24-22(32-25-16)15-31-23(28)20-14-19(27(29)30)7-8-21(20)26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15H2,1H3