[(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] 4-methoxybenzoate

Systemtic Name: [(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] 4-methoxybenzoate Openeye Name: [(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] ester IUPAC Name: [(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S,2R)-2-(dimethylaminomethyl)cyclohexyl] ester Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1OC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CN(C)C[C@H]1CCCC[C@@H]1OC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H25NO3/c1-18(2)12-14-6-4-5-7-16(14)21-17(19)13-8-10-15(20-3)11-9-13/h8-11,14,16H,4-7,12H2,1-3H3/t14-,16+/m1/s1