methyl 2-[[3,4-bis(oxidanyl)phenyl]methylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[3,4-bis(oxidanyl)phenyl]methylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(3,4-dihydroxyphenyl)methylamino]-3-methyl-butanoate CAS Name: 2-[(3,4-dihydroxyphenyl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3,4-dihydroxyphenyl)methylamino]-3-methylbutanoate Traditional Name: 3-methyl-2-(protocatechuylamino)butyric acid methyl ester Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1=CC(=C(C=C1)O)O

Isomeric SMILES

CC(C)C(C(=O)OC)NCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C13H19NO4/c1-8(2)12(13(17)18-3)14-7-9-4-5-10(15)11(16)6-9/h4-6,8,12,14-16H,7H2,1-3H3