3-dodecyl-2,3-dihydro-1H-indole-6-carboxylic acid

Systemtic Name: 3-dodecyl-2,3-dihydro-1H-indole-6-carboxylic acid Openeye Name: 3-dodecylindoline-6-carboxylic acid CAS Name: 3-dodecyl-2,3-dihydro-1H-indole-6-carboxylic acid IUPAC Name: 3-dodecyl-2,3-dihydro-1H-indole-6-carboxylic acid Traditional Name: 3-laurylindoline-6-carboxylic acid Formula: C21H33NO2 MolecularWeight: 331.49222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1CNC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1CNC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-18-16-22-20-15-17(21(23)24)13-14-19(18)20/h13-15,18,22H,2-12,16H2,1H3,(H,23,24)