7-[(E)-2-(4-fluorophenyl)ethenyl]-3-(1-oxidanylcyclohexyl)isochromen-1-one

Systemtic Name: 7-[(E)-2-(4-fluorophenyl)ethenyl]-3-(1-oxidanylcyclohexyl)isochromen-1-one Openeye Name: 7-[(E)-2-(4-fluorophenyl)vinyl]-3-(1-hydroxycyclohexyl)isochromen-1-one CAS Name: 7-[(E)-2-(4-fluorophenyl)ethenyl]-3-(1-hydroxycyclohexyl)-2-benzopyran-1-one IUPAC Name: 7-[(E)-2-(4-fluorophenyl)ethenyl]-3-(1-hydroxycyclohexyl)isochromen-1-one Traditional Name: 7-[(E)-2-(4-fluorophenyl)vinyl]-3-(1-hydroxycyclohexyl)isocoumarin Formula: C23H21FO3 MolecularWeight: 364.409443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC3=C(C=C(C=C3)C=CC4=CC=C(C=C4)F)C(=O)O2)O

Isomeric SMILES

C1CCC(CC1)(C2=CC3=C(C=C(C=C3)/C=C/C4=CC=C(C=C4)F)C(=O)O2)O

InChI

InChI=1S/C23H21FO3/c24-19-10-7-16(8-11-19)4-5-17-6-9-18-15-21(27-22(25)20(18)14-17)23(26)12-2-1-3-13-23/h4-11,14-15,26H,1-3,12-13H2/b5-4+