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

Systemtic Name: 4-[2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]butanoate hydrochloride Openeye Name: 4-[2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]phenyl]butanoate hydrochloride CAS Name: 4-[2-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]butanoate hydrochloride IUPAC Name: 4-[2-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]butanoate hydrochloride Traditional Name: 4-[2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]phenyl]butyrate hydrochloride Formula: C13H17ClNO4- MolecularWeight: 286.73138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC=CC=C1CCCC(=O)[O-].Cl

Isomeric SMILES

CC(C(=O)O)NC1=CC=CC=C1CCCC(=O)[O-].Cl

InChI

InChI=1S/C13H17NO4.ClH/c1-9(13(17)18)14-11-7-3-2-5-10(11)6-4-8-12(15)16;/h2-3,5,7,9,14H,4,6,8H2,1H3,(H,15,16)(H,17,18);1H/p-1