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

Systemtic Name: 3-octadecanoyl-1H-indole-2-carboxylic acid Openeye Name: 3-octadecanoyl-1H-indole-2-carboxylic acid CAS Name: 3-(1-oxooctadecyl)-1H-indole-2-carboxylic acid IUPAC Name: 3-octadecanoyl-1H-indole-2-carboxylic acid Traditional Name: 3-stearoyl-1H-indole-2-carboxylic acid Formula: C27H41NO3 MolecularWeight: 427.61934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C27H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(29)25-22-19-17-18-20-23(22)28-26(25)27(30)31/h17-20,28H,2-16,21H2,1H3,(H,30,31)