ethyl 4-(7-methoxy-1,3-benzodioxol-4-yl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-(7-methoxy-1,3-benzodioxol-4-yl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl 4-hydroxy-4-(7-methoxy-1,3-benzodioxol-4-yl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(7-methoxy-1,3-benzodioxol-4-yl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-(7-methoxy-1,3-benzodioxol-4-yl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(7-methoxy-1,3-benzodioxol-4-yl)cyclohexanecarboxylic acid ethyl ester Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)(C2=C3C(=C(C=C2)OC)OCO3)O

Isomeric SMILES

CCOC(=O)C1CCC(CC1)(C2=C3C(=C(C=C2)OC)OCO3)O

InChI

InChI=1S/C17H22O6/c1-3-21-16(18)11-6-8-17(19,9-7-11)12-4-5-13(20-2)15-14(12)22-10-23-15/h4-5,11,19H,3,6-10H2,1-2H3