5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide hydrochloride

Systemtic Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide hydrochloride Openeye Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzamide hydrochloride CAS Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide hydrochloride IUPAC Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide hydrochloride Traditional Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-benzamide hydrochloride Formula: C20H25ClN2O5 MolecularWeight: 408.8759

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)C(=O)N)O.Cl

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)C(=O)N)O.Cl

InChI

InChI=1S/C20H24N2O5.ClH/c1-12(2-3-13-4-7-18-19(8-13)27-11-26-18)22-10-17(24)14-5-6-16(23)15(9-14)20(21)25;/h4-9,12,17,22-24H,2-3,10-11H2,1H3,(H2,21,25);1H