(5-methyl-2-propan-2-yl-cyclohexyl) 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate CAS Name: 1-[1-(2,4-dichlorophenyl)ethyl]-2-azetidinecarboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate Traditional Name: 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C22H31Cl2NO2 MolecularWeight: 412.39304

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CCN2C(C)C3=C(C=C(C=C3)Cl)Cl)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2CCN2C(C)C3=C(C=C(C=C3)Cl)Cl)C(C)C

InChI

InChI=1S/C22H31Cl2NO2/c1-13(2)17-7-5-14(3)11-21(17)27-22(26)20-9-10-25(20)15(4)18-8-6-16(23)12-19(18)24/h6,8,12-15,17,20-21H,5,7,9-11H2,1-4H3