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

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

Systemtic Name:4-[3-[(9E,12E)-octadeca-9,12-dienyl]indol-1-yl]butanoic acid
Openeye Name:4-[3-[(9E,12E)-octadeca-9,12-dienyl]indol-1-yl]butanoic acid
CAS Name:4-[3-[(9E,12E)-octadeca-9,12-dienyl]-1-indolyl]butanoic acid
IUPAC Name:4-[3-[(9E,12E)-octadeca-9,12-dienyl]indol-1-yl]butanoic acid
Traditional Name:4-[3-[(9E,12E)-octadeca-9,12-dienyl]indol-1-yl]butyric acid
Formula: C30H45NO2
MolecularWeight: 451.6838
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-26-31(25-20-24-30(32)33)29-23-19-18-22-28(27)29/h6-7,9-10,18-19,22-23,26H,2-5,8,11-17,20-21,24-25H2,1H3,(H,32,33)/b7-6+,10-9+


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