(E)-1-[2-(2-dimethylaminoethyloxy)-5-(3,5-dimethylphenyl)phenyl]-3-(2-fluoranyl-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[2-(2-dimethylaminoethyloxy)-5-(3,5-dimethylphenyl)phenyl]-3-(2-fluoranyl-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[2-(2-dimethylaminoethyloxy)-5-(3,5-dimethylphenyl)phenyl]-3-(2-fluoro-4-hydroxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[2-(2-dimethylaminoethyloxy)-5-(3,5-dimethylphenyl)phenyl]-3-(2-fluoro-4-hydroxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[2-(2-dimethylaminoethyloxy)-5-(3,5-dimethylphenyl)phenyl]-3-(2-fluoro-4-hydroxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[2-(2-dimethylaminoethyloxy)-5-(3,5-dimethylphenyl)phenyl]-3-(2-fluoro-4-hydroxy-phenyl)prop-2-en-1-one Formula: C27H28FNO3 MolecularWeight: 433.514523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=C(C=C2)OCCN(C)C)C(=O)C=CC3=C(C=C(C=C3)O)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=C(C=C2)OCCN(C)C)C(=O)/C=C/C3=C(C=C(C=C3)O)F)C

InChI

InChI=1S/C27H28FNO3/c1-18-13-19(2)15-22(14-18)21-7-10-27(32-12-11-29(3)4)24(16-21)26(31)9-6-20-5-8-23(30)17-25(20)28/h5-10,13-17,30H,11-12H2,1-4H3/b9-6+