3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C29H38N2O6 MolecularWeight: 510.62182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC1(CC2=CC(=C(C=C2CN1C)OC)OC)C(=O)O)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCC1(CC2=CC(=C(C=C2CN1C)OC)OC)C(=O)O)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C29H38N2O6/c1-19(2)28(18-30,22-9-10-23(34-4)26(15-22)37-7)11-8-12-29(27(32)33)16-20-13-24(35-5)25(36-6)14-21(20)17-31(29)3/h9-10,13-15,19H,8,11-12,16-17H2,1-7H3,(H,32,33)