2-acetamidoethyl 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoate hydrochloride

Systemtic Name: 2-acetamidoethyl 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoate hydrochloride Openeye Name: 2-acetamidoethyl 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoate hydrochloride CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid 2-acetamidoethyl ester hydrochloride IUPAC Name: 2-acetamidoethyl 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate hydrochloride Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propionic acid 2-acetamidoethyl ester hydrochloride Formula: C14H21ClN2O5 MolecularWeight: 332.77994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCOC(=O)C(C)(CC1=CC(=C(C=C1)O)O)N.Cl

Isomeric SMILES

CC(=O)NCCOC(=O)C(C)(CC1=CC(=C(C=C1)O)O)N.Cl

InChI

InChI=1S/C14H20N2O5.ClH/c1-9(17)16-5-6-21-13(20)14(2,15)8-10-3-4-11(18)12(19)7-10;/h3-4,7,18-19H,5-6,8,15H2,1-2H3,(H,16,17);1H