3-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonyl-prop-2-enyl-amino]propanoic acid

Systemtic Name: 3-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonyl-prop-2-enyl-amino]propanoic acid Openeye Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]pyridine-2-carbonyl]-allyl-amino]propanoic acid CAS Name: 3-[[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]-2-pyridinyl]-oxomethyl]-prop-2-enylamino]propanoic acid IUPAC Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]pyridine-2-carbonyl]-prop-2-enylamino]propanoic acid Traditional Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]picolinoyl]-allyl-amino]propionic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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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)N(CCC(=O)O)CC=C

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)N(CCC(=O)O)CC=C

InChI

InChI=1S/C23H26N2O6/c1-4-10-25(11-9-22(28)29)23(30)19-8-6-7-17(24-19)14-31-21-13-20(27)18(15(3)26)12-16(21)5-2/h4,6-8,12-13,27H,1,5,9-11,14H2,2-3H3,(H,28,29)