(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; 2-methyl-3-phenyl-butanoic acid

Systemtic Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; 2-methyl-3-phenyl-butanoic acid Openeye Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; 2-methyl-3-phenyl-butanoic acid CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; 2-methyl-3-phenylbutanoic acid IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; 2-methyl-3-phenylbutanoic acid Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine; 2-methyl-3-phenyl-butyric acid Formula: C30H34FNO5 MolecularWeight: 507.593063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C)C(=O)O.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C1=CC=CC=C1)C(C)C(=O)O.C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20FNO3.C11H14O2/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;1-8(9(2)11(12)13)10-6-4-3-5-7-10/h1-6,9,14,17,21H,7-8,10-12H2;3-9H,1-2H3,(H,12,13)/t14-,17-;/m0./s1