4-(3-octanoylindol-1-yl)butanoic acid

Systemtic Name: 4-(3-octanoylindol-1-yl)butanoic acid Openeye Name: 4-(3-octanoylindol-1-yl)butanoic acid CAS Name: 4-[3-(1-oxooctyl)-1-indolyl]butanoic acid IUPAC Name: 4-(3-octanoylindol-1-yl)butanoic acid Traditional Name: 4-(3-caprylylindol-1-yl)butyric acid Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)O

Isomeric SMILES

CCCCCCCC(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)O

InChI

InChI=1S/C20H27NO3/c1-2-3-4-5-6-12-19(22)17-15-21(14-9-13-20(23)24)18-11-8-7-10-16(17)18/h7-8,10-11,15H,2-6,9,12-14H2,1H3,(H,23,24)