2-[(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C26H29NO4 MolecularWeight: 419.51276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3C(=O)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C3C(=O)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H29NO4/c1-15-23(17-8-6-7-9-18(17)27-15)24(16-10-11-21(30-4)22(12-16)31-5)25-19(28)13-26(2,3)14-20(25)29/h6-12,24-25,27H,13-14H2,1-5H3