1-[7-methoxy-2-(2-methylpropyl)-1-benzofuran-4-yl]-2-pyridin-4-yl-ethanone hydrochloride

Systemtic Name: 1-[7-methoxy-2-(2-methylpropyl)-1-benzofuran-4-yl]-2-pyridin-4-yl-ethanone hydrochloride Openeye Name: 1-(2-isobutyl-7-methoxy-benzofuran-4-yl)-2-(4-pyridyl)ethanone hydrochloride CAS Name: 1-[7-methoxy-2-(2-methylpropyl)-4-benzofuranyl]-2-pyridin-4-ylethanone hydrochloride IUPAC Name: 1-[7-methoxy-2-(2-methylpropyl)-1-benzofuran-4-yl]-2-pyridin-4-ylethanone hydrochloride Traditional Name: 1-(2-isobutyl-7-methoxy-benzofuran-4-yl)-2-(4-pyridyl)ethanone hydrochloride Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(C=CC(=C2O1)OC)C(=O)CC3=CC=NC=C3.Cl

Isomeric SMILES

CC(C)CC1=CC2=C(C=CC(=C2O1)OC)C(=O)CC3=CC=NC=C3.Cl

InChI

InChI=1S/C20H21NO3.ClH/c1-13(2)10-15-12-17-16(4-5-19(23-3)20(17)24-15)18(22)11-14-6-8-21-9-7-14;/h4-9,12-13H,10-11H2,1-3H3;1H