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

Systemtic Name: ethyl 4-(3-tridecanoylindol-1-yl)butanoate Openeye Name: ethyl 4-(3-tridecanoylindol-1-yl)butanoate CAS Name: 4-[3-(1-oxotridecyl)-1-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(3-tridecanoylindol-1-yl)butanoate Traditional Name: 4-(3-tridecanoylindol-1-yl)butyric acid ethyl ester Formula: C27H41NO3 MolecularWeight: 427.61934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO3/c1-3-5-6-7-8-9-10-11-12-13-19-26(29)24-22-28(21-16-20-27(30)31-4-2)25-18-15-14-17-23(24)25/h14-15,17-18,22H,3-13,16,19-21H2,1-2H3