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

Systemtic Name: 2-[5-butyl-2-(4-ethoxyphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-butyl-2-(4-ethoxyphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butyl-2-(4-ethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butyl-2-(4-ethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-(5-butyl-2-p-phenetyl-1H-indol-3-yl)acetic acid Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H25NO3/c1-3-5-6-15-7-12-20-18(13-15)19(14-21(24)25)22(23-20)16-8-10-17(11-9-16)26-4-2/h7-13,23H,3-6,14H2,1-2H3,(H,24,25)