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

Systemtic Name: 2-[[3-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]phenyl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]benzoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzoyl]amino]-3-hydroxy-propionic acid Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=C2)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=C2)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C21H23NO7/c1-3-14-8-16(12(2)24)18(25)9-19(14)29-11-13-5-4-6-15(7-13)20(26)22-17(10-23)21(27)28/h4-9,17,23,25H,3,10-11H2,1-2H3,(H,22,26)(H,27,28)