6-oxidanyl-2-[2-[4-(oxidanylideneboranylmethylamino)phenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 6-oxidanyl-2-[2-[4-(oxidanylideneboranylmethylamino)phenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one Openeye Name: 6-hydroxy-2-isopropyl-2-[2-[4-(oxoboranylmethylamino)phenyl]ethyl]-3H-pyran-4-one CAS Name: 6-hydroxy-2-[2-[4-(oxoboranylmethylamino)phenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 6-hydroxy-2-[2-[4-(oxoboranylmethylamino)phenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 6-hydroxy-2-isopropyl-2-[2-[4-(ketoboranylmethylamino)phenyl]ethyl]-3H-pyran-4-one Formula: C17H22BNO4 MolecularWeight: 315.17188

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)CNC1=CC=C(C=C1)CCC2(CC(=O)C=C(O2)O)C(C)C

Isomeric SMILES

B(=O)CNC1=CC=C(C=C1)CCC2(CC(=O)C=C(O2)O)C(C)C

InChI

InChI=1S/C17H22BNO4/c1-12(2)17(10-15(20)9-16(21)23-17)8-7-13-3-5-14(6-4-13)19-11-18-22/h3-6,9,12,19,21H,7-8,10-11H2,1-2H3