2-(2-methyl-1H-indol-3-yl)ethanoic acid; 1-(4-methylphenyl)propan-1-one

Systemtic Name: 2-(2-methyl-1H-indol-3-yl)ethanoic acid; 1-(4-methylphenyl)propan-1-one Openeye Name: 2-(2-methyl-1H-indol-3-yl)acetic acid; 1-(p-tolyl)propan-1-one CAS Name: 2-(2-methyl-1H-indol-3-yl)acetic acid; 1-(4-methylphenyl)-1-propanone IUPAC Name: 2-(2-methyl-1H-indol-3-yl)acetic acid; 1-(4-methylphenyl)propan-1-one Traditional Name: 2-(2-methyl-1H-indol-3-yl)acetic acid; 1-(p-tolyl)propan-1-one Formula: C21H23NO3 MolecularWeight: 337.41222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)C.CC1=C(C2=CC=CC=C2N1)CC(=O)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)C.CC1=C(C2=CC=CC=C2N1)CC(=O)O

InChI

InChI=1S/C11H11NO2.C10H12O/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7;1-3-10(11)9-6-4-8(2)5-7-9/h2-5,12H,6H2,1H3,(H,13,14);4-7H,3H2,1-2H3