2-[5-butan-2-yl-2-(2-methylphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butan-2-yl-2-(2-methylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(o-tolyl)-5-sec-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butan-2-yl-2-(2-methylphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butan-2-yl-2-(2-methylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(o-tolyl)-5-sec-butyl-1H-indol-3-yl]acetic acid Formula: C21H23NO2 MolecularWeight: 321.41282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C21H23NO2/c1-4-13(2)15-9-10-19-17(11-15)18(12-20(23)24)21(22-19)16-8-6-5-7-14(16)3/h5-11,13,22H,4,12H2,1-3H3,(H,23,24)