methyl 4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoate

Systemtic Name: methyl 4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoate Openeye Name: methyl 4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoate CAS Name: 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexanoate Traditional Name: 4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoic acid methyl ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)OC)(C#N)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC(C)C(CCC(=O)OC)(C#N)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C17H23NO4/c1-12(2)17(11-18,9-8-16(19)22-5)13-6-7-14(20-3)15(10-13)21-4/h6-7,10,12H,8-9H2,1-5H3