methyl 4-cyano-4-(3,4-dimethoxyphenyl)cyclohexane-1-carboxylate

Systemtic Name: methyl 4-cyano-4-(3,4-dimethoxyphenyl)cyclohexane-1-carboxylate Openeye Name: methyl 4-cyano-4-(3,4-dimethoxyphenyl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(3,4-dimethoxyphenyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-4-(3,4-dimethoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(3,4-dimethoxyphenyl)cyclohexanecarboxylic acid methyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)OC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)OC)C#N)OC

InChI

InChI=1S/C17H21NO4/c1-20-14-5-4-13(10-15(14)21-2)17(11-18)8-6-12(7-9-17)16(19)22-3/h4-5,10,12H,6-9H2,1-3H3