2-octadecan-2-yl-1H-indole-6-carboxylic acid

Systemtic Name: 2-octadecan-2-yl-1H-indole-6-carboxylic acid Openeye Name: 2-(1-methylheptadecyl)-1H-indole-6-carboxylic acid CAS Name: 2-octadecan-2-yl-1H-indole-6-carboxylic acid IUPAC Name: 2-octadecan-2-yl-1H-indole-6-carboxylic acid Traditional Name: 2-(1-methylheptadecyl)-1H-indole-6-carboxylic acid Formula: C27H43NO2 MolecularWeight: 413.63582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C1=CC2=C(N1)C=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C1=CC2=C(N1)C=C(C=C2)C(=O)O

InChI

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