(3-fluoranyl-4-methoxy-phenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H21FN2O5 MolecularWeight: 388.389543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])F

InChI

InChI=1S/C20H21FN2O5/c1-27-19-7-6-14(12-16(19)21)13-28-20(24)15-8-10-22(11-9-15)17-4-2-3-5-18(17)23(25)26/h2-7,12,15H,8-11,13H2,1H3