methyl 5-cyano-6-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylate

Systemtic Name: methyl 5-cyano-6-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylate Openeye Name: methyl 5-cyano-6-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylate CAS Name: 5-cyano-6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(methoxymethoxy)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(methoxymethoxy)cyclohexene-1-carboxylate Traditional Name: 5-cyano-6-[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(C(C(CC1)C#N)C2=CC(=C(C=C2)OC)OCC3CC3)C(=O)OC

Isomeric SMILES

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

InChI

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