methyl 3-acetamido-5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzoate hydrochloride

Systemtic Name: methyl 3-acetamido-5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzoate hydrochloride Openeye Name: methyl 3-acetamido-5-[2-(tert-butylamino)-1-hydroxy-ethyl]benzoate hydrochloride CAS Name: 3-acetamido-5-[2-(tert-butylamino)-1-hydroxyethyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-acetamido-5-[2-(tert-butylamino)-1-hydroxyethyl]benzoate hydrochloride Traditional Name: 3-acetamido-5-[2-(tert-butylamino)-1-hydroxy-ethyl]benzoic acid methyl ester hydrochloride Formula: C16H25ClN2O4 MolecularWeight: 344.8337

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(CNC(C)(C)C)O)C(=O)OC.Cl

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(CNC(C)(C)C)O)C(=O)OC.Cl

InChI

InChI=1S/C16H24N2O4.ClH/c1-10(19)18-13-7-11(6-12(8-13)15(21)22-5)14(20)9-17-16(2,3)4;/h6-8,14,17,20H,9H2,1-5H3,(H,18,19);1H