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

Systemtic Name: 2-[5-butoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-butoxy-2-(m-tolyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butoxy-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butoxy-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-butoxy-2-(m-tolyl)-1H-indol-3-yl]acetic acid Formula: C21H23NO3 MolecularWeight: 337.41222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H23NO3/c1-3-4-10-25-16-8-9-19-17(12-16)18(13-20(23)24)21(22-19)15-7-5-6-14(2)11-15/h5-9,11-12,22H,3-4,10,13H2,1-2H3,(H,23,24)