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

Systemtic Name: 6-cyano-6-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-7-methyl-octanoic acid Openeye Name: 6-cyano-6-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-7-methyl-octanoic acid CAS Name: 6-cyano-6-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-7-methyloctanoic acid IUPAC Name: 6-cyano-6-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-7-methyloctanoic acid Traditional Name: 6-cyano-6-(3,4-dimethoxyphenyl)-7-methyl-2-[methyl(veratryl)amino]caprylic acid Formula: C28H38N2O6 MolecularWeight: 498.61112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O6/c1-19(2)28(18-29,21-11-13-24(34-5)26(16-21)36-7)14-8-9-22(27(31)32)30(3)17-20-10-12-23(33-4)25(15-20)35-6/h10-13,15-16,19,22H,8-9,14,17H2,1-7H3,(H,31,32)