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

Systemtic Name: hexyl 4-[3-(diethylamino)propanoylamino]-2-oxidanyl-benzoate hydrochloride Openeye Name: hexyl 4-[3-(diethylamino)propanoylamino]-2-hydroxy-benzoate hydrochloride CAS Name: 4-[[3-(diethylamino)-1-oxopropyl]amino]-2-hydroxybenzoic acid hexyl ester hydrochloride IUPAC Name: hexyl 4-[3-(diethylamino)propanoylamino]-2-hydroxybenzoate hydrochloride Traditional Name: 4-[3-(diethylamino)propanoylamino]-2-hydroxy-benzoic acid hexyl ester hydrochloride Formula: C20H33ClN2O4 MolecularWeight: 400.94002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN(CC)CC)O.Cl

Isomeric SMILES

CCCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN(CC)CC)O.Cl

InChI

InChI=1S/C20H32N2O4.ClH/c1-4-7-8-9-14-26-20(25)17-11-10-16(15-18(17)23)21-19(24)12-13-22(5-2)6-3;/h10-11,15,23H,4-9,12-14H2,1-3H3,(H,21,24);1H