(4-methoxycarbonylphenyl) (3S)-1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) (3S)-1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl) (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-fluorobenzoyl)nipecotic acid (4-carbomethoxyphenyl) ester Formula: C21H20FNO5 MolecularWeight: 385.385603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO5/c1-27-20(25)15-6-10-18(11-7-15)28-21(26)16-3-2-12-23(13-16)19(24)14-4-8-17(22)9-5-14/h4-11,16H,2-3,12-13H2,1H3/t16-/m0/s1