[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [(2R)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H25FN2O4/c1-15(29-22(27)16-6-11-20(28-2)19(23)14-16)21(26)24-17-7-9-18(10-8-17)25-12-4-3-5-13-25/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,26)/t15-/m1/s1