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

Systemtic Name: 3-(4-bromophenyl)-8-(dimethylaminomethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(4-bromophenyl)-8-(dimethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(4-bromophenyl)-8-(dimethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(4-bromophenyl)-8-(dimethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(4-bromophenyl)-8-(dimethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3/c1-20(2)9-14-16(21)8-7-13-17(22)15(10-23-18(13)14)11-3-5-12(19)6-4-11/h3-6,10,14,18,22H,7-9H2,1-2H3