(3-fluoranyl-4-methoxy-phenyl)methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=C(C=C3)OC)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=C(C=C3)OC)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN2O5/c1-14-4-3-9-23(12-14)18-7-6-16(11-19(18)24(26)27)21(25)29-13-15-5-8-20(28-2)17(22)10-15/h5-8,10-11,14H,3-4,9,12-13H2,1-2H3/t14-/m0/s1