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

Systemtic Name: 1-methyl-3-octadecanoyl-indole-2-carboxylic acid Openeye Name: 1-methyl-3-octadecanoyl-indole-2-carboxylic acid CAS Name: 1-methyl-3-(1-oxooctadecyl)-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-octadecanoylindole-2-carboxylic acid Traditional Name: 1-methyl-3-stearoyl-indole-2-carboxylic acid Formula: C28H43NO3 MolecularWeight: 441.64592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)C)C(=O)O

InChI

InChI=1S/C28H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25(30)26-23-20-18-19-21-24(23)29(2)27(26)28(31)32/h18-21H,3-17,22H2,1-2H3,(H,31,32)