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

Systemtic Name: 2-[[3-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]phenyl]carbonylamino]butanedioic acid Openeye Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoyl]amino]butanedioic acid CAS Name: 2-[[[3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]benzoyl]amino]butanedioic acid Traditional Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoyl]amino]succinic acid Formula: C22H23NO8 MolecularWeight: 429.41992

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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)NC(CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO8/c1-3-14-8-16(12(2)24)18(25)10-19(14)31-11-13-5-4-6-15(7-13)21(28)23-17(22(29)30)9-20(26)27/h4-8,10,17,25H,3,9,11H2,1-2H3,(H,23,28)(H,26,27)(H,29,30)