[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methylphenyl)propanoate

Systemtic Name: [2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methylphenyl)propanoate Openeye Name: [2-(2,4-dihydroxyphenyl)-2-oxo-ethyl] 3-acetamido-3-(p-tolyl)propanoate CAS Name: 3-acetamido-3-(4-methylphenyl)propanoic acid [2-(2,4-dihydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 3-acetamido-3-(4-methylphenyl)propanoate Traditional Name: 3-acetamido-3-(p-tolyl)propionic acid [2-(2,4-dihydroxyphenyl)-2-keto-ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OCC(=O)C2=C(C=C(C=C2)O)O)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OCC(=O)C2=C(C=C(C=C2)O)O)NC(=O)C

InChI

InChI=1S/C20H21NO6/c1-12-3-5-14(6-4-12)17(21-13(2)22)10-20(26)27-11-19(25)16-8-7-15(23)9-18(16)24/h3-9,17,23-24H,10-11H2,1-2H3,(H,21,22)