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

Systemtic Name: methyl 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylate Openeye Name: methyl 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylate CAS Name: 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(methoxymethoxy)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylate Traditional Name: 5-cyano-5-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylic acid methyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-25-14-29-18-8-9-22(13-23,11-17(18)21(24)27-3)16-6-7-19(26-2)20(10-16)28-12-15-4-5-15/h6-7,10,15H,4-5,8-9,11-12,14H2,1-3H3