2-[5-tert-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-tert-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-tert-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-tert-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-tert-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-tert-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25NO4/c1-22(2,3)14-7-8-17-15(11-14)16(12-20(24)25)21(23-17)13-6-9-18(26-4)19(10-13)27-5/h6-11,23H,12H2,1-5H3,(H,24,25)