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

Systemtic Name: [(1R,3S,4S)-4-(dimethylaminomethyl)-3-(3-methoxyphenyl)-3-oxidanyl-cyclohexyl] propanoate Openeye Name: [(1R,3S,4S)-4-(dimethylaminomethyl)-3-hydroxy-3-(3-methoxyphenyl)cyclohexyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [(1R,3S,4S)-4-(dimethylaminomethyl)-3-hydroxy-3-(3-methoxyphenyl)cyclohexyl] ester Formula: C19H29NO4 MolecularWeight: 335.43786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO4/c1-5-18(21)24-17-10-9-15(13-20(2)3)19(22,12-17)14-7-6-8-16(11-14)23-4/h6-8,11,15,17,22H,5,9-10,12-13H2,1-4H3/t15-,17+,19+/m0/s1