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

Systemtic Name: 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-nitro-benzoic acid Openeye Name: 2-[[4-[(4-fluorophenyl)methyl]-1-piperidyl]methyl]-3-nitro-benzoic acid CAS Name: 2-[[4-[(4-fluorophenyl)methyl]-1-piperidinyl]methyl]-3-nitrobenzoic acid IUPAC Name: 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-nitrobenzoic acid Traditional Name: 2-[[4-(4-fluorobenzyl)piperidino]methyl]-3-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[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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