4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexanoic acid

Systemtic Name: 4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexanoic acid Openeye Name: 4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexanoic acid CAS Name: 4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexanoic acid IUPAC Name: 4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexanoic acid Traditional Name: 4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexanoic acid Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5/c1-11(2)17(10-18,7-6-15(19)20)12-8-13(21-3)16(23-5)14(9-12)22-4/h8-9,11H,6-7H2,1-5H3,(H,19,20)