1-methyl-3-octadecyl-indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-octadecyl-indole-2-carboxylic acid Openeye Name: 1-methyl-3-octadecyl-indole-2-carboxylic acid CAS Name: 1-methyl-3-octadecyl-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-octadecylindole-2-carboxylic acid Traditional Name: 1-methyl-3-stearyl-indole-2-carboxylic acid Formula: C28H45NO2 MolecularWeight: 427.6624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(N(C2=CC=CC=C21)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(N(C2=CC=CC=C21)C)C(=O)O

InChI

InChI=1S/C28H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-24-21-19-20-23-26(24)29(2)27(25)28(30)31/h19-21,23H,3-18,22H2,1-2H3,(H,30,31)