4-[4-[6-(furan-2-yl)hexylamino]phenyl]butanoic acid

Systemtic Name: 4-[4-[6-(furan-2-yl)hexylamino]phenyl]butanoic acid Openeye Name: 4-[4-[6-(2-furyl)hexylamino]phenyl]butanoic acid CAS Name: 4-[4-[6-(2-furanyl)hexylamino]phenyl]butanoic acid IUPAC Name: 4-[4-[6-(furan-2-yl)hexylamino]phenyl]butanoic acid Traditional Name: 4-[4-[6-(2-furyl)hexylamino]phenyl]butyric acid Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CCCCCCNC2=CC=C(C=C2)CCCC(=O)O

Isomeric SMILES

C1=COC(=C1)CCCCCCNC2=CC=C(C=C2)CCCC(=O)O

InChI

InChI=1S/C20H27NO3/c22-20(23)10-5-7-17-11-13-18(14-12-17)21-15-4-2-1-3-8-19-9-6-16-24-19/h6,9,11-14,16,21H,1-5,7-8,10,15H2,(H,22,23)