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

Systemtic Name: 3-(4-bromophenyl)-4-oxidanyl-8-(piperidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(4-bromophenyl)-4-hydroxy-8-(1-piperidylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(4-bromophenyl)-4-hydroxy-8-(1-piperidinylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(4-bromophenyl)-4-hydroxy-8-(piperidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(4-bromophenyl)-4-hydroxy-8-(piperidinomethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2C3C(=C(C(=CO3)C4=CC=C(C=C4)Br)O)CCC2=O

Isomeric SMILES

C1CCN(CC1)CC2C3C(=C(C(=CO3)C4=CC=C(C=C4)Br)O)CCC2=O

InChI

InChI=1S/C21H24BrNO3/c22-15-6-4-14(5-7-15)18-13-26-21-16(20(18)25)8-9-19(24)17(21)12-23-10-2-1-3-11-23/h4-7,13,17,21,25H,1-3,8-12H2