(E)-3-(6-acetamido-5-oxidanyl-pyridin-3-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide hydrochloride

Systemtic Name: (E)-3-(6-acetamido-5-oxidanyl-pyridin-3-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide hydrochloride Openeye Name: (E)-3-(6-acetamido-5-hydroxy-3-pyridyl)-N-methyl-N-[(3-methylbenzofuran-2-yl)methyl]prop-2-enamide hydrochloride CAS Name: (E)-3-(6-acetamido-5-hydroxy-3-pyridinyl)-N-methyl-N-[(3-methyl-2-benzofuranyl)methyl]-2-propenamide hydrochloride IUPAC Name: (E)-3-(6-acetamido-5-hydroxypyridin-3-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide hydrochloride Traditional Name: (E)-3-(6-acetamido-5-hydroxy-3-pyridyl)-N-methyl-N-[(3-methylbenzofuran-2-yl)methyl]acrylamide hydrochloride Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)CN(C)C(=O)C=CC3=CC(=C(N=C3)NC(=O)C)O.Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC(=C(N=C3)NC(=O)C)O.Cl

InChI

InChI=1S/C21H21N3O4.ClH/c1-13-16-6-4-5-7-18(16)28-19(13)12-24(3)20(27)9-8-15-10-17(26)21(22-11-15)23-14(2)25;/h4-11,26H,12H2,1-3H3,(H,22,23,25);1H/b9-8+;