2-[3-(2,2-dimethylpropanoyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetic acid CAS Name: 2-[3-(2,2-dimethyl-1-oxopropyl)-1-indolyl]acetic acid IUPAC Name: 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetic acid Traditional Name: 2-(3-pivaloylindol-1-yl)acetic acid Formula: C15H17NO3 MolecularWeight: 259.30038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)O

Isomeric SMILES

CC(C)(C)C(=O)C1=CN(C2=CC=CC=C21)CC(=O)O

InChI

InChI=1S/C15H17NO3/c1-15(2,3)14(19)11-8-16(9-13(17)18)12-7-5-4-6-10(11)12/h4-8H,9H2,1-3H3,(H,17,18)