3-octadecanoyl-1H-indole-6-carboxylic acid

Systemtic Name: 3-octadecanoyl-1H-indole-6-carboxylic acid Openeye Name: 3-octadecanoyl-1H-indole-6-carboxylic acid CAS Name: 3-(1-oxooctadecyl)-1H-indole-6-carboxylic acid IUPAC Name: 3-octadecanoyl-1H-indole-6-carboxylic acid Traditional Name: 3-stearoyl-1H-indole-6-carboxylic acid Formula: C27H41NO3 MolecularWeight: 427.61934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CNC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CNC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C27H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)24-21-28-25-20-22(27(30)31)18-19-23(24)25/h18-21,28H,2-17H2,1H3,(H,30,31)