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2-[[5-(hexanoylamino)-2-octoxy-phenyl]carbonylamino]ethanoic acid

2-[[5-(hexanoylamino)-2-octoxy-phenyl]carbonylamino]ethanoic acid

Systemtic Name:2-[[5-(hexanoylamino)-2-octoxy-phenyl]carbonylamino]ethanoic acid
Openeye Name:2-[[5-(hexanoylamino)-2-octoxy-benzoyl]amino]acetic acid
CAS Name:2-[[[2-octoxy-5-(1-oxohexylamino)phenyl]-oxomethyl]amino]acetic acid
IUPAC Name:2-[[5-(hexanoylamino)-2-octoxybenzoyl]amino]acetic acid
Traditional Name:2-[[5-(caproylamino)-2-octoxy-benzoyl]amino]acetic acid
Formula: C23H36N2O5
MolecularWeight: 420.54234
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)CCCCC)C(=O)NCC(=O)O


Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)CCCCC)C(=O)NCC(=O)O


InChI

InChI=1S/C23H36N2O5/c1-3-5-7-8-9-11-15-30-20-14-13-18(25-21(26)12-10-6-4-2)16-19(20)23(29)24-17-22(27)28/h13-14,16H,3-12,15,17H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)


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