4-oxidanyl-3-phenyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 4-oxidanyl-3-phenyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-phenyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-phenyl-8-(1-pyrrolidinylmethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-phenyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-phenyl-8-(pyrrolidinomethyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H22F3NO3 MolecularWeight: 393.39949

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2C3C(=C(C(=C(O3)C(F)(F)F)C4=CC=CC=C4)O)CCC2=O

Isomeric SMILES

C1CCN(C1)CC2C3C(=C(C(=C(O3)C(F)(F)F)C4=CC=CC=C4)O)CCC2=O

InChI

InChI=1S/C21H22F3NO3/c22-21(23,24)20-17(13-6-2-1-3-7-13)18(27)14-8-9-16(26)15(19(14)28-20)12-25-10-4-5-11-25/h1-3,6-7,15,19,27H,4-5,8-12H2