5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylic acid

Systemtic Name: 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylic acid Openeye Name: 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylic acid CAS Name: 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(methoxymethoxy)-1-cyclohexenecarboxylic acid IUPAC Name: 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylic acid Traditional Name: 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(CC(CC1)(C#N)C2=CC(=C(C=C2)OC)OCC3CC3)C(=O)O

Isomeric SMILES

COCOC1=C(CC(CC1)(C#N)C2=CC(=C(C=C2)OC)OCC3CC3)C(=O)O

InChI

InChI=1S/C21H25NO6/c1-25-13-28-17-7-8-21(12-22,10-16(17)20(23)24)15-5-6-18(26-2)19(9-15)27-11-14-3-4-14/h5-6,9,14H,3-4,7-8,10-11,13H2,1-2H3,(H,23,24)