3-(2,3,3-trimethylindol-5-yl)propanoic acid

Systemtic Name: 3-(2,3,3-trimethylindol-5-yl)propanoic acid Openeye Name: 3-(2,3,3-trimethylindol-5-yl)propanoic acid CAS Name: 3-(2,3,3-trimethyl-5-indolyl)propanoic acid IUPAC Name: 3-(2,3,3-trimethylindol-5-yl)propanoic acid Traditional Name: 3-(2,3,3-trimethylindol-5-yl)propionic acid Formula: C14H17NO2 MolecularWeight: 231.29028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C1(C)C)C=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1=NC2=C(C1(C)C)C=C(C=C2)CCC(=O)O

InChI

InChI=1S/C14H17NO2/c1-9-14(2,3)11-8-10(5-7-13(16)17)4-6-12(11)15-9/h4,6,8H,5,7H2,1-3H3,(H,16,17)