2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-oxidanyl-butanoate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-oxidanyl-butanoate Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-hydroxy-butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-hydroxybutanoate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-hydroxybutanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-cyclohexyl-3-hydroxy-butyrate Formula: C17H21O5- MolecularWeight: 305.34564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(C2=CC3=C(C=C2)OCO3)C(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)CC(C(C2=CC3=C(C=C2)OCO3)C(=O)[O-])O

InChI

InChI=1S/C17H22O5/c18-13(8-11-4-2-1-3-5-11)16(17(19)20)12-6-7-14-15(9-12)22-10-21-14/h6-7,9,11,13,16,18H,1-5,8,10H2,(H,19,20)/p-1