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

Systemtic Name: 3-(4-bromophenyl)-8-(diethylaminomethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(4-bromophenyl)-8-(diethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(4-bromophenyl)-8-(diethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(4-bromophenyl)-8-(diethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(4-bromophenyl)-8-(diethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1C2C(=C(C(=CO2)C3=CC=C(C=C3)Br)O)CCC1=O

Isomeric SMILES

CCN(CC)CC1C2C(=C(C(=CO2)C3=CC=C(C=C3)Br)O)CCC1=O

InChI

InChI=1S/C20H24BrNO3/c1-3-22(4-2)11-16-18(23)10-9-15-19(24)17(12-25-20(15)16)13-5-7-14(21)8-6-13/h5-8,12,16,20,24H,3-4,9-11H2,1-2H3