[(1R,3S,4S)-4-(dimethylaminomethyl)-3-(3-methoxyphenyl)-3-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [(1R,3S,4S)-4-(dimethylaminomethyl)-3-(3-methoxyphenyl)-3-oxidanyl-cyclohexyl] ethanoate Openeye Name: [(1R,3S,4S)-4-(dimethylaminomethyl)-3-hydroxy-3-(3-methoxyphenyl)cyclohexyl] acetate CAS Name: acetic acid [(1R,3S,4S)-4-(dimethylaminomethyl)-3-hydroxy-3-(3-methoxyphenyl)cyclohexyl] ester IUPAC Name: [(1R,3S,4S)-4-(dimethylaminomethyl)-3-hydroxy-3-(3-methoxyphenyl)cyclohexyl] acetate Traditional Name: acetic acid [(1R,3S,4S)-4-(dimethylaminomethyl)-3-hydroxy-3-(3-methoxyphenyl)cyclohexyl] ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)O[C@@H]1CC[C@H]([C@@](C1)(C2=CC(=CC=C2)OC)O)CN(C)C

InChI

InChI=1S/C18H27NO4/c1-13(20)23-17-9-8-15(12-19(2)3)18(21,11-17)14-6-5-7-16(10-14)22-4/h5-7,10,15,17,21H,8-9,11-12H2,1-4H3/t15-,17+,18+/m0/s1