ethyl 4-[3-[(9E,12E)-octadeca-9,12-dienyl]indol-1-yl]butanoate

Systemtic Name: ethyl 4-[3-[(9E,12E)-octadeca-9,12-dienyl]indol-1-yl]butanoate Openeye Name: ethyl 4-[3-[(9E,12E)-octadeca-9,12-dienyl]indol-1-yl]butanoate CAS Name: 4-[3-[(9E,12E)-octadeca-9,12-dienyl]-1-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(9E,12E)-octadeca-9,12-dienyl]indol-1-yl]butanoate Traditional Name: 4-[3-[(9E,12E)-octadeca-9,12-dienyl]indol-1-yl]butyric acid ethyl ester Formula: C32H49NO2 MolecularWeight: 479.73696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCC1=CN(C2=CC=CC=C21)CCCC(=O)OCC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCC1=CN(C2=CC=CC=C21)CCCC(=O)OCC

InChI

InChI=1S/C32H49NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-28-33(27-22-26-32(34)35-4-2)31-25-21-20-24-30(29)31/h8-9,11-12,20-21,24-25,28H,3-7,10,13-19,22-23,26-27H2,1-2H3/b9-8+,12-11+