9-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyrazin-2-yl]carbonylamino]nonanoic acid

Systemtic Name: 9-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyrazin-2-yl]carbonylamino]nonanoic acid Openeye Name: 9-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]pyrazine-2-carbonyl]amino]nonanoic acid CAS Name: 9-[[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]-2-pyrazinyl]-oxomethyl]amino]nonanoic acid IUPAC Name: 9-[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]pyrazine-2-carbonyl]amino]nonanoic acid Traditional Name: 9-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]pyrazinoyl]amino]pelargonic acid Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=NC(=CN=C2)C(=O)NCCCCCCCCC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=NC(=CN=C2)C(=O)NCCCCCCCCC(=O)O

InChI

InChI=1S/C25H33N3O6/c1-3-18-12-20(17(2)29)22(30)13-23(18)34-16-19-14-26-15-21(28-19)25(33)27-11-9-7-5-4-6-8-10-24(31)32/h12-15,30H,3-11,16H2,1-2H3,(H,27,33)(H,31,32)