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

Systemtic Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-oxidanyl-ethyl]-2-methoxy-benzamide hydrochloride Openeye Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-methoxy-benzamide hydrochloride CAS Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-methoxybenzamide hydrochloride IUPAC Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-methoxybenzamide hydrochloride Traditional Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]-2-methoxy-benzamide hydrochloride Formula: C21H27ClN2O5 MolecularWeight: 422.90248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5.ClH/c1-13(3-4-14-5-7-19-20(9-14)28-12-27-19)23-11-17(24)15-6-8-18(26-2)16(10-15)21(22)25;/h5-10,13,17,23-24H,3-4,11-12H2,1-2H3,(H2,22,25);1H