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

Systemtic Name: 2-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C25H27NO3 MolecularWeight: 389.48678

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3/c1-15-22(18-7-5-6-8-19(18)26-15)23(16-9-11-17(29-4)12-10-16)24-20(27)13-25(2,3)14-21(24)28/h5-12,23-24,26H,13-14H2,1-4H3