2-octadecylindole-1-carboxylic acid

Systemtic Name: 2-octadecylindole-1-carboxylic acid Openeye Name: 2-octadecylindole-1-carboxylic acid CAS Name: 2-octadecyl-1-indolecarboxylic acid IUPAC Name: 2-octadecylindole-1-carboxylic acid Traditional Name: 2-stearylindole-1-carboxylic acid Formula: C27H43NO2 MolecularWeight: 413.63582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2N1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2N1C(=O)O

InChI

InChI=1S/C27H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-23-24-20-18-19-22-26(24)28(25)27(29)30/h18-20,22-23H,2-17,21H2,1H3,(H,29,30)