4-(2-ethylphenyl)-2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butanoate hydrochloride

Systemtic Name: 4-(2-ethylphenyl)-2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butanoate hydrochloride Openeye Name: 4-(2-ethylphenyl)-2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]butanoate hydrochloride CAS Name: 4-(2-ethylphenyl)-2-[(1-hydroxy-1-oxopropan-2-yl)amino]butanoate hydrochloride IUPAC Name: 4-(2-ethylphenyl)-2-[(1-hydroxy-1-oxopropan-2-yl)amino]butanoate hydrochloride Traditional Name: 4-(2-ethylphenyl)-2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]butyrate hydrochloride Formula: C15H21ClNO4- MolecularWeight: 314.78454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CCC(C(=O)[O-])NC(C)C(=O)O.Cl

Isomeric SMILES

CCC1=CC=CC=C1CCC(C(=O)[O-])NC(C)C(=O)O.Cl

InChI

InChI=1S/C15H21NO4.ClH/c1-3-11-6-4-5-7-12(11)8-9-13(15(19)20)16-10(2)14(17)18;/h4-7,10,13,16H,3,8-9H2,1-2H3,(H,17,18)(H,19,20);1H/p-1