(E)-3-(3-phenylmethoxyphenyl)-1-pyridin-3-yl-prop-2-en-1-one hydrochloride

Systemtic Name: (E)-3-(3-phenylmethoxyphenyl)-1-pyridin-3-yl-prop-2-en-1-one hydrochloride Openeye Name: (E)-3-(3-benzyloxyphenyl)-1-(3-pyridyl)prop-2-en-1-one hydrochloride CAS Name: (E)-3-(3-phenylmethoxyphenyl)-1-(3-pyridinyl)-2-propen-1-one hydrochloride IUPAC Name: (E)-3-(3-phenylmethoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one hydrochloride Traditional Name: (E)-3-(3-benzoxyphenyl)-1-(3-pyridyl)prop-2-en-1-one hydrochloride Formula: C21H18ClNO2 MolecularWeight: 351.82612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C=CC(=O)C3=CN=CC=C3.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C/C(=O)C3=CN=CC=C3.Cl

InChI

InChI=1S/C21H17NO2.ClH/c23-21(19-9-5-13-22-15-19)12-11-17-8-4-10-20(14-17)24-16-18-6-2-1-3-7-18;/h1-15H,16H2;1H/b12-11+;