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

Systemtic Name: 1-methyl-3-octanoyl-indole-2-carboxylic acid Openeye Name: 1-methyl-3-octanoyl-indole-2-carboxylic acid CAS Name: 1-methyl-3-(1-oxooctyl)-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-octanoylindole-2-carboxylic acid Traditional Name: 3-caprylyl-1-methyl-indole-2-carboxylic acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-3-4-5-6-7-12-15(20)16-13-10-8-9-11-14(13)19(2)17(16)18(21)22/h8-11H,3-7,12H2,1-2H3,(H,21,22)