(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(3-fluoro-4-pyrrolidino-phenyl)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-en-1-one Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=CC(=O)C2=CC(=C(C=C2)N3CCCC3)F

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)C2=CC(=C(C=C2)N3CCCC3)F

InChI

InChI=1S/C21H22FNO4/c1-26-19-11-14(12-20(27-2)21(19)25)5-8-18(24)15-6-7-17(16(22)13-15)23-9-3-4-10-23/h5-8,11-13,25H,3-4,9-10H2,1-2H3/b8-5+