(6-azanylhexanoylamino)methyl 3-methyl-2,6-bis(oxidanyl)benzoate hydrochloride

Systemtic Name: (6-azanylhexanoylamino)methyl 3-methyl-2,6-bis(oxidanyl)benzoate hydrochloride Openeye Name: (6-aminohexanoylamino)methyl 2,6-dihydroxy-3-methyl-benzoate hydrochloride CAS Name: 2,6-dihydroxy-3-methylbenzoic acid [(6-amino-1-oxohexyl)amino]methyl ester hydrochloride IUPAC Name: (6-aminohexanoylamino)methyl 2,6-dihydroxy-3-methylbenzoate hydrochloride Traditional Name: 2,6-dihydroxy-3-methyl-benzoic acid (6-aminohexanoylamino)methyl ester hydrochloride Formula: C15H23ClN2O5 MolecularWeight: 346.80652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)O)C(=O)OCNC(=O)CCCCCN)O.Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)O)C(=O)OCNC(=O)CCCCCN)O.Cl

InChI

InChI=1S/C15H22N2O5.ClH/c1-10-6-7-11(18)13(14(10)20)15(21)22-9-17-12(19)5-3-2-4-8-16;/h6-7,18,20H,2-5,8-9,16H2,1H3,(H,17,19);1H