methyl 3-[(3S,6S)-6-(1,3-benzodioxol-5-yl)-3-oxidanyl-cyclohexen-1-yl]propanoate

Systemtic Name: methyl 3-[(3S,6S)-6-(1,3-benzodioxol-5-yl)-3-oxidanyl-cyclohexen-1-yl]propanoate Openeye Name: methyl 3-[(3S,6S)-6-(1,3-benzodioxol-5-yl)-3-hydroxy-cyclohexen-1-yl]propanoate CAS Name: 3-[(3S,6S)-6-(1,3-benzodioxol-5-yl)-3-hydroxy-1-cyclohexenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,6S)-6-(1,3-benzodioxol-5-yl)-3-hydroxycyclohexen-1-yl]propanoate Traditional Name: 3-[(3S,6S)-6-(1,3-benzodioxol-5-yl)-3-hydroxy-cyclohexen-1-yl]propionic acid methyl ester Formula: C17H20O5 MolecularWeight: 304.3377

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(CCC1C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

COC(=O)CCC1=C[C@H](CC[C@@H]1C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C17H20O5/c1-20-17(19)7-3-11-8-13(18)4-5-14(11)12-2-6-15-16(9-12)22-10-21-15/h2,6,8-9,13-14,18H,3-5,7,10H2,1H3/t13-,14-/m0/s1