2-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]pyridine-2-carbonyl]amino]butanedioic acid CAS Name: 2-[[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]-2-pyridinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]pyridine-2-carbonyl]amino]butanedioic acid Traditional Name: 2-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]picolinoyl]amino]succinic acid Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H22N2O8/c1-3-12-7-14(11(2)24)17(25)9-18(12)31-10-13-5-4-6-15(22-13)20(28)23-16(21(29)30)8-19(26)27/h4-7,9,16,25H,3,8,10H2,1-2H3,(H,23,28)(H,26,27)(H,29,30)