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

Systemtic Name: [(1R,3S,4S)-3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] butanoate Openeye Name: [(1R,3S,4S)-3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] butanoate CAS Name: butanoic acid [(1R,3S,4S)-3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester IUPAC Name: [(1R,3S,4S)-3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] butanoate Traditional Name: butyric acid [(1R,3S,4S)-3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO4/c1-5-7-19(22)25-18-10-11-20(23,16(13-18)14-21(2)3)15-8-6-9-17(12-15)24-4/h6,8-9,12,16,18,23H,5,7,10-11,13-14H2,1-4H3/t16-,18+,20+/m0/s1