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

Systemtic Name: 3-(4-bromophenyl)-4-oxidanyl-8-(pyrrolidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(4-bromophenyl)-4-hydroxy-8-(pyrrolidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(4-bromophenyl)-4-hydroxy-8-(1-pyrrolidinylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(4-bromophenyl)-4-hydroxy-8-(pyrrolidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(4-bromophenyl)-4-hydroxy-8-(pyrrolidinomethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2C3C(=C(C(=CO3)C4=CC=C(C=C4)Br)O)CCC2=O

Isomeric SMILES

C1CCN(C1)CC2C3C(=C(C(=CO3)C4=CC=C(C=C4)Br)O)CCC2=O

InChI

InChI=1S/C20H22BrNO3/c21-14-5-3-13(4-6-14)17-12-25-20-15(19(17)24)7-8-18(23)16(20)11-22-9-1-2-10-22/h3-6,12,16,20,24H,1-2,7-11H2