2-(1-dodecyl-2-oxidanylidene-3H-indol-3-yl)ethanoic acid

Systemtic Name: 2-(1-dodecyl-2-oxidanylidene-3H-indol-3-yl)ethanoic acid Openeye Name: 2-(1-dodecyl-2-oxo-indolin-3-yl)acetic acid CAS Name: 2-(1-dodecyl-2-oxo-3H-indol-3-yl)acetic acid IUPAC Name: 2-(1-dodecyl-2-oxo-3H-indol-3-yl)acetic acid Traditional Name: 2-(2-keto-1-lauryl-indolin-3-yl)acetic acid Formula: C22H33NO3 MolecularWeight: 359.50232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=CC=CC=C2C(C1=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCN1C2=CC=CC=C2C(C1=O)CC(=O)O

InChI

InChI=1S/C22H33NO3/c1-2-3-4-5-6-7-8-9-10-13-16-23-20-15-12-11-14-18(20)19(22(23)26)17-21(24)25/h11-12,14-15,19H,2-10,13,16-17H2,1H3,(H,24,25)