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

Systemtic Name: 3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-nitro-benzoic acid Openeye Name: 3-[[4-[(4-fluorophenyl)methyl]-1-piperidyl]methyl]-4-nitro-benzoic acid CAS Name: 3-[[4-[(4-fluorophenyl)methyl]-1-piperidinyl]methyl]-4-nitrobenzoic acid IUPAC Name: 3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-nitrobenzoic acid Traditional Name: 3-[[4-(4-fluorobenzyl)piperidino]methyl]-4-nitro-benzoic acid Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=C(C=C2)F)CC3=C(C=CC(=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=C(C=C2)F)CC3=C(C=CC(=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN2O4/c21-18-4-1-14(2-5-18)11-15-7-9-22(10-8-15)13-17-12-16(20(24)25)3-6-19(17)23(26)27/h1-6,12,15H,7-11,13H2,(H,24,25)