[3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] 2,2-dimethylpropanoate

Systemtic Name: [3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] 2,2-dimethylpropanoate Openeye Name: [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester IUPAC Name: [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1CCC(C(C1)CN(C)C)(C2=CC(=CC=C2)OC)O

Isomeric SMILES

CC(C)(C)C(=O)OC1CCC(C(C1)CN(C)C)(C2=CC(=CC=C2)OC)O

InChI

InChI=1S/C21H33NO4/c1-20(2,3)19(23)26-18-10-11-21(24,16(13-18)14-22(4)5)15-8-7-9-17(12-15)25-6/h7-9,12,16,18,24H,10-11,13-14H2,1-6H3