(4-fluorophenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (4-fluorophenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-fluorophenyl)methyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (4-fluorobenzyl) ester Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C21H23FN2O4/c1-14-9-15(2)12-23(11-14)19-8-5-17(10-20(19)24(26)27)21(25)28-13-16-3-6-18(22)7-4-16/h3-8,10,14-15H,9,11-13H2,1-2H3