[3-[(1S,2S)-2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl] butanoate

Systemtic Name: [3-[(1S,2S)-2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]phenyl] butanoate Openeye Name: [3-[(1S,2S)-2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] butanoate CAS Name: butanoic acid [3-[(1S,2S)-2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] ester IUPAC Name: [3-[(1S,2S)-2-(dimethylaminomethyl)-1-hydroxycyclohexyl]phenyl] butanoate Traditional Name: butyric acid [3-[(1S,2S)-2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]phenyl] ester Formula: C19H29NO3 MolecularWeight: 319.43846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=CC(=C1)C2(CCCCC2CN(C)C)O

Isomeric SMILES

CCCC(=O)OC1=CC=CC(=C1)[C@@]2(CCCC[C@H]2CN(C)C)O

InChI

InChI=1S/C19H29NO3/c1-4-8-18(21)23-17-11-7-10-15(13-17)19(22)12-6-5-9-16(19)14-20(2)3/h7,10-11,13,16,22H,4-6,8-9,12,14H2,1-3H3/t16-,19+/m0/s1