2-[1-(4-methylpiperidin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexane-1-carboxylic acid

Systemtic Name: 2-[1-(4-methylpiperidin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexane-1-carboxylic acid Openeye Name: 2-[1-[(4-methyl-1-piperidyl)methyl]-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohexanecarboxylic acid CAS Name: 2-[[1-(4-methyl-1-piperidinyl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[1-(4-methylpiperidin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexane-1-carboxylic acid Traditional Name: 2-[1-[(4-methylpiperidino)methyl]-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohexanecarboxylic acid Formula: C31H41NO5 MolecularWeight: 507.66094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)C4CCCCC4C(=O)O

Isomeric SMILES

CC1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)C4CCCCC4C(=O)O

InChI

InChI=1S/C31H41NO5/c1-23-17-19-32(20-18-23)21-26(37-31(35)28-13-7-6-12-27(28)30(33)34)22-36-29-14-8-5-11-25(29)16-15-24-9-3-2-4-10-24/h2-5,8-11,14,23,26-28H,6-7,12-13,15-22H2,1H3,(H,33,34)