ethyl 4-(3-dodecanoylindol-1-yl)butanoate

Systemtic Name: ethyl 4-(3-dodecanoylindol-1-yl)butanoate Openeye Name: ethyl 4-(3-dodecanoylindol-1-yl)butanoate CAS Name: 4-[3-(1-oxododecyl)-1-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(3-dodecanoylindol-1-yl)butanoate Traditional Name: 4-(3-lauroylindol-1-yl)butyric acid ethyl ester Formula: C26H39NO3 MolecularWeight: 413.59276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CN(C2=CC=CC=C21)CCCC(=O)OCC

InChI

InChI=1S/C26H39NO3/c1-3-5-6-7-8-9-10-11-12-18-25(28)23-21-27(20-15-19-26(29)30-4-2)24-17-14-13-16-22(23)24/h13-14,16-17,21H,3-12,15,18-20H2,1-2H3