2-[1-(4-aminocarbonylpiperidin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexene-1-carboxylic acid

Systemtic Name: 2-[1-(4-aminocarbonylpiperidin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexene-1-carboxylic acid Openeye Name: 2-[1-[(4-carbamoyl-1-piperidyl)methyl]-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohexene-1-carboxylic acid CAS Name: 2-[[1-(4-carbamoyl-1-piperidinyl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[1-(4-carbamoylpiperidin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxycarbonylcyclohexene-1-carboxylic acid Traditional Name: 2-[1-[(4-carbamoylpiperidino)methyl]-2-(2-phenethylphenoxy)ethoxy]carbonylcyclohexene-1-carboxylic acid Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)O)C(=O)OC(CN2CCC(CC2)C(=O)N)COC3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(=C(C1)C(=O)O)C(=O)OC(CN2CCC(CC2)C(=O)N)COC3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C31H38N2O6/c32-29(34)24-16-18-33(19-17-24)20-25(39-31(37)27-12-6-5-11-26(27)30(35)36)21-38-28-13-7-4-10-23(28)15-14-22-8-2-1-3-9-22/h1-4,7-10,13,24-25H,5-6,11-12,14-21H2,(H2,32,34)(H,35,36)