2-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]pyridine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]-2-pyridinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]pyridine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]picolinoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C26H26N2O7 MolecularWeight: 478.49384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C26H26N2O7/c1-3-17-12-20(15(2)29)23(31)13-24(17)35-14-18-5-4-6-21(27-18)25(32)28-22(26(33)34)11-16-7-9-19(30)10-8-16/h4-10,12-13,22,30-31H,3,11,14H2,1-2H3,(H,28,32)(H,33,34)