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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=CC=C3C

InChI

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