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

Systemtic Name: 3-(3,5-dimethylphenoxy)-4-oxidanyl-8-(pyrrolidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-8-(pyrrolidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-8-(1-pyrrolidinylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-8-(pyrrolidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-8-(pyrrolidinomethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3C(C(=O)CCC3=C2O)CN4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3C(C(=O)CCC3=C2O)CN4CCCC4)C

InChI

InChI=1S/C22H27NO4/c1-14-9-15(2)11-16(10-14)27-20-13-26-22-17(21(20)25)5-6-19(24)18(22)12-23-7-3-4-8-23/h9-11,13,18,22,25H,3-8,12H2,1-2H3