3-(2-bromanylphenoxy)-8-(diethylaminomethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(2-bromanylphenoxy)-8-(diethylaminomethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(2-bromophenoxy)-8-(diethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(2-bromophenoxy)-8-(diethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(2-bromophenoxy)-8-(diethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(2-bromophenoxy)-8-(diethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Formula: C20H24BrNO4 MolecularWeight: 422.31286

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1C2C(=C(C(=CO2)OC3=CC=CC=C3Br)O)CCC1=O

Isomeric SMILES

CCN(CC)CC1C2C(=C(C(=CO2)OC3=CC=CC=C3Br)O)CCC1=O

InChI

InChI=1S/C20H24BrNO4/c1-3-22(4-2)11-14-16(23)10-9-13-19(24)18(12-25-20(13)14)26-17-8-6-5-7-15(17)21/h5-8,12,14,20,24H,3-4,9-11H2,1-2H3