hexyl 2-oxidanyl-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride

Systemtic Name: hexyl 2-oxidanyl-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride Openeye Name: hexyl 2-hydroxy-4-[3-(isopropylamino)propanoylamino]benzoate hydrochloride CAS Name: 2-hydroxy-4-[[1-oxo-3-(propan-2-ylamino)propyl]amino]benzoic acid hexyl ester hydrochloride IUPAC Name: hexyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride Traditional Name: 2-hydroxy-4-[3-(isopropylamino)propanoylamino]benzoic acid hexyl ester hydrochloride Formula: C19H31ClN2O4 MolecularWeight: 386.91344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(C)C)O.Cl

Isomeric SMILES

CCCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(C)C)O.Cl

InChI

InChI=1S/C19H30N2O4.ClH/c1-4-5-6-7-12-25-19(24)16-9-8-15(13-17(16)22)21-18(23)10-11-20-14(2)3;/h8-9,13-14,20,22H,4-7,10-12H2,1-3H3,(H,21,23);1H