(phenylmethyl) 2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: benzyl 2-[(2,3-dihydroxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2,3-dihydroxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2,3-dihydroxybenzoyl)amino]-3-methyl-butyric acid benzyl ester Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(C(=CC=C2)O)O

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(C(=CC=C2)O)O

InChI

InChI=1S/C19H21NO5/c1-12(2)16(19(24)25-11-13-7-4-3-5-8-13)20-18(23)14-9-6-10-15(21)17(14)22/h3-10,12,16,21-22H,11H2,1-2H3,(H,20,23)