ethyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate

Systemtic Name: ethyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate Openeye Name: ethyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carboxylic acid ethyl ester Formula: C22H24FNO5 MolecularWeight: 401.428063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C(C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CC[C@H]([C@@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FNO5/c1-2-26-22(25)24-10-9-19(15-3-5-17(23)6-4-15)16(12-24)13-27-18-7-8-20-21(11-18)29-14-28-20/h3-8,11,16,19H,2,9-10,12-14H2,1H3/t16-,19-/m0/s1