6-cyano-6-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7-methyl-octanoic acid

Systemtic Name: 6-cyano-6-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7-methyl-octanoic acid Openeye Name: 6-cyano-6-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7-methyl-octanoic acid CAS Name: 6-cyano-6-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7-methyloctanoic acid IUPAC Name: 6-cyano-6-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl]-7-methyloctanoic acid Traditional Name: 6-cyano-6-(3,4-dimethoxyphenyl)-7-methyl-2-veratryl-caprylic acid Formula: C27H35NO6 MolecularWeight: 469.5699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(CC1=CC(=C(C=C1)OC)OC)C(=O)O)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C(CCCC(CC1=CC(=C(C=C1)OC)OC)C(=O)O)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C27H35NO6/c1-18(2)27(17-28,21-10-12-23(32-4)25(16-21)34-6)13-7-8-20(26(29)30)14-19-9-11-22(31-3)24(15-19)33-5/h9-12,15-16,18,20H,7-8,13-14H2,1-6H3,(H,29,30)