9-[[3-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]phenyl]carbonylamino]nonanoic acid

Systemtic Name: 9-[[3-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]phenyl]carbonylamino]nonanoic acid Openeye Name: 9-[[3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoyl]amino]nonanoic acid CAS Name: 9-[[[3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]phenyl]-oxomethyl]amino]nonanoic acid IUPAC Name: 9-[[3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]benzoyl]amino]nonanoic acid Traditional Name: 9-[[3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoyl]amino]pelargonic acid Formula: C27H35NO6 MolecularWeight: 469.5699

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=C2)C(=O)NCCCCCCCCC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=C2)C(=O)NCCCCCCCCC(=O)O

InChI

InChI=1S/C27H35NO6/c1-3-21-16-23(19(2)29)24(30)17-25(21)34-18-20-11-10-12-22(15-20)27(33)28-14-9-7-5-4-6-8-13-26(31)32/h10-12,15-17,30H,3-9,13-14,18H2,1-2H3,(H,28,33)(H,31,32)