1-hexadecylindole-2-carboxylic acid

Systemtic Name: 1-hexadecylindole-2-carboxylic acid Openeye Name: 1-hexadecylindole-2-carboxylic acid CAS Name: 1-hexadecyl-2-indolecarboxylic acid IUPAC Name: 1-hexadecylindole-2-carboxylic acid Traditional Name: 1-cetylindole-2-carboxylic acid Formula: C25H39NO2 MolecularWeight: 385.58266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C=C1C(=O)O

InChI

InChI=1S/C25H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-23-19-16-15-18-22(23)21-24(26)25(27)28/h15-16,18-19,21H,2-14,17,20H2,1H3,(H,27,28)