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

Systemtic Name: 3-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]pyridine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]-2-pyridinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]picolinoyl]amino]-3-phenyl-propionic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O6/c1-3-17-12-20(16(2)29)23(30)14-24(17)34-15-19-10-7-11-21(27-19)26(33)28-22(13-25(31)32)18-8-5-4-6-9-18/h4-12,14,22,30H,3,13,15H2,1-2H3,(H,28,33)(H,31,32)