(phenylmethyl) 2-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[6-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]pyridin-2-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: benzyl 2-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]pyridine-2-carbonyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]-2-pyridinyl]-oxomethyl]amino]-3-hydroxypropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[6-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]pyridine-2-carbonyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[6-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]picolinoyl]amino]-3-hydroxy-propionic acid benzyl ester Formula: C27H28N2O7 MolecularWeight: 492.52042

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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(CO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=N2)C(=O)NC(CO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O7/c1-3-19-12-21(17(2)31)24(32)13-25(19)35-16-20-10-7-11-22(28-20)26(33)29-23(14-30)27(34)36-15-18-8-5-4-6-9-18/h4-13,23,30,32H,3,14-16H2,1-2H3,(H,29,33)