methyl (3S,4R)-4-(4-fluorophenyl)-6-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: methyl (3S,4R)-4-(4-fluorophenyl)-6-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (3S,4R)-4-(4-fluorophenyl)-6-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (3S,4R)-1-benzyl-4-(4-fluorophenyl)-6-keto-nipecotic acid methyl ester Formula: C20H20FNO3 MolecularWeight: 341.376103

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C(=O)CC1C2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CN(C(=O)C[C@H]1C2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H20FNO3/c1-25-20(24)18-13-22(12-14-5-3-2-4-6-14)19(23)11-17(18)15-7-9-16(21)10-8-15/h2-10,17-18H,11-13H2,1H3/t17-,18+/m0/s1