2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carbonyl]cyclohexanecarboxylic acid Formula: C27H30FNO6 MolecularWeight: 483.528603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCC(C(C2)COC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)N2CCC(C(C2)COC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F)C(=O)O

InChI

InChI=1S/C27H30FNO6/c28-19-7-5-17(6-8-19)21-11-12-29(26(30)22-3-1-2-4-23(22)27(31)32)14-18(21)15-33-20-9-10-24-25(13-20)35-16-34-24/h5-10,13,18,21-23H,1-4,11-12,14-16H2,(H,31,32)