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

Systemtic Name: 3-octanoyl-1H-indole-6-carboxylic acid Openeye Name: 3-octanoyl-1H-indole-6-carboxylic acid CAS Name: 3-(1-oxooctyl)-1H-indole-6-carboxylic acid IUPAC Name: 3-octanoyl-1H-indole-6-carboxylic acid Traditional Name: 3-caprylyl-1H-indole-6-carboxylic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c1-2-3-4-5-6-7-16(19)14-11-18-15-10-12(17(20)21)8-9-13(14)15/h8-11,18H,2-7H2,1H3,(H,20,21)