[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3)F

InChI

InChI=1S/C21H22FNO4/c1-26-18-11-10-16(14-17(18)22)21(25)27-19(15-8-4-2-5-9-15)20(24)23-12-6-3-7-13-23/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3/t19-/m1/s1