1-hexadecylindole-5-carboxylic acid

Systemtic Name: 1-hexadecylindole-5-carboxylic acid Openeye Name: 1-hexadecylindole-5-carboxylic acid CAS Name: 1-hexadecyl-5-indolecarboxylic acid IUPAC Name: 1-hexadecylindole-5-carboxylic acid Traditional Name: 1-cetylindole-5-carboxylic acid Formula: C25H39NO2 MolecularWeight: 385.58266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C=CC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C=CC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C25H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-20-18-22-21-23(25(27)28)16-17-24(22)26/h16-18,20-21H,2-15,19H2,1H3,(H,27,28)