[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-3-(1,3-benzodioxol-5-yl)-2-oxidanyl-propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-3-(1,3-benzodioxol-5-yl)-2-oxidanyl-propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-3-(1,3-benzodioxol-5-yl)-2-hydroxy-propanoate CAS Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-hydroxypropanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-3-(1,3-benzodioxol-5-yl)-2-hydroxypropanoate Traditional Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-hydroxy-propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H28O5 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC2=CC3=C(C=C2)OCO3)O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](CC2=CC3=C(C=C2)OCO3)O)C(C)C

InChI

InChI=1S/C20H28O5/c1-12(2)15-6-4-13(3)8-18(15)25-20(22)16(21)9-14-5-7-17-19(10-14)24-11-23-17/h5,7,10,12-13,15-16,18,21H,4,6,8-9,11H2,1-3H3/t13-,15+,16+,18-/m1/s1