methyl 6-azanyl-2-[(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)carbamoylamino]hexanoate hydrochloride

Systemtic Name: methyl 6-azanyl-2-[(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)carbamoylamino]hexanoate hydrochloride Openeye Name: methyl 6-amino-2-[(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)carbamoylamino]hexanoate hydrochloride CAS Name: 6-amino-2-[[(3-tert-butyl-2-hydroxy-5-methoxyanilino)-oxomethyl]amino]hexanoic acid methyl ester hydrochloride IUPAC Name: methyl 6-amino-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)carbamoylamino]hexanoate hydrochloride Traditional Name: 6-amino-2-[(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)carbamoylamino]hexanoic acid methyl ester hydrochloride Formula: C19H32ClN3O5 MolecularWeight: 417.92748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)NC(CCCCN)C(=O)OC)OC.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)NC(CCCCN)C(=O)OC)OC.Cl

InChI

InChI=1S/C19H31N3O5.ClH/c1-19(2,3)13-10-12(26-4)11-15(16(13)23)22-18(25)21-14(17(24)27-5)8-6-7-9-20;/h10-11,14,23H,6-9,20H2,1-5H3,(H2,21,22,25);1H