6-(1,3-benzodioxol-2-yl)-6-cyano-2-[(3,4-dimethoxyphenyl)methyl]-7-methyl-nonanoic acid

Systemtic Name: 6-(1,3-benzodioxol-2-yl)-6-cyano-2-[(3,4-dimethoxyphenyl)methyl]-7-methyl-nonanoic acid Openeye Name: 6-(1,3-benzodioxol-2-yl)-6-cyano-2-[(3,4-dimethoxyphenyl)methyl]-7-methyl-nonanoic acid CAS Name: 6-(1,3-benzodioxol-2-yl)-6-cyano-2-[(3,4-dimethoxyphenyl)methyl]-7-methylnonanoic acid IUPAC Name: 6-(1,3-benzodioxol-2-yl)-6-cyano-2-[(3,4-dimethoxyphenyl)methyl]-7-methylnonanoic acid Traditional Name: 6-(1,3-benzodioxol-2-yl)-6-cyano-7-methyl-2-veratryl-pelargonic acid Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCCC(CC1=CC(=C(C=C1)OC)OC)C(=O)O)(C#N)C2OC3=CC=CC=C3O2

Isomeric SMILES

CCC(C)C(CCCC(CC1=CC(=C(C=C1)OC)OC)C(=O)O)(C#N)C2OC3=CC=CC=C3O2

InChI

InChI=1S/C27H33NO6/c1-5-18(2)27(17-28,26-33-22-10-6-7-11-23(22)34-26)14-8-9-20(25(29)30)15-19-12-13-21(31-3)24(16-19)32-4/h6-7,10-13,16,18,20,26H,5,8-9,14-15H2,1-4H3,(H,29,30)