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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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