6-[1-(2-phenethylphenoxy)-3-piperidin-1-yl-propan-2-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[1-(2-phenethylphenoxy)-3-piperidin-1-yl-propan-2-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[1-[(2-phenethylphenoxy)methyl]-2-(1-piperidyl)ethoxy]carbonylcyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[1-(2-phenethylphenoxy)-3-(1-piperidinyl)propan-2-yl]oxymethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[1-(2-phenethylphenoxy)-3-piperidin-1-ylpropan-2-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[1-[(2-phenethylphenoxy)methyl]-2-piperidino-ethoxy]carbonylcyclohex-3-ene-1-carboxylic acid Formula: C30H37NO5 MolecularWeight: 491.61848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

C1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C30H37NO5/c32-29(33)26-14-6-7-15-27(26)30(34)36-25(21-31-19-9-2-10-20-31)22-35-28-16-8-5-13-24(28)18-17-23-11-3-1-4-12-23/h1,3-8,11-13,16,25-27H,2,9-10,14-15,17-22H2,(H,32,33)