methyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-nitro-benzoate

Systemtic Name: methyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-nitro-benzoate Openeye Name: methyl 2-[[4-[(4-fluorophenyl)methyl]-1-piperidyl]methyl]-3-nitro-benzoate CAS Name: 2-[[4-[(4-fluorophenyl)methyl]-1-piperidinyl]methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-nitrobenzoate Traditional Name: 2-[[4-(4-fluorobenzyl)piperidino]methyl]-3-nitro-benzoic acid methyl ester Formula: C21H23FN2O4 MolecularWeight: 386.416723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CN2CCC(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CN2CCC(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O4/c1-28-21(25)18-3-2-4-20(24(26)27)19(18)14-23-11-9-16(10-12-23)13-15-5-7-17(22)8-6-15/h2-8,16H,9-14H2,1H3