(4-ethanoyl-2-methoxy-phenyl) (3S)-1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) (3S)-1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (4-acetyl-2-methoxy-phenyl) (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-fluorobenzoyl)nipecotic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C22H22FNO5 MolecularWeight: 399.412183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H22FNO5/c1-14(25)16-7-10-19(20(12-16)28-2)29-22(27)17-4-3-11-24(13-17)21(26)15-5-8-18(23)9-6-15/h5-10,12,17H,3-4,11,13H2,1-2H3/t17-/m0/s1