3-[(Z)-4-(2-oxidanyl-5-prop-1-en-2-yl-3,6-dihydro-1,2-oxaborinin-6-yl)-2-pyridin-2-yl-but-1-enyl]phenol

Systemtic Name: 3-[(Z)-4-(2-oxidanyl-5-prop-1-en-2-yl-3,6-dihydro-1,2-oxaborinin-6-yl)-2-pyridin-2-yl-but-1-enyl]phenol Openeye Name: 3-[(Z)-4-(2-hydroxy-5-isopropenyl-3,6-dihydrooxaborinin-6-yl)-2-(2-pyridyl)but-1-enyl]phenol CAS Name: 3-[(Z)-4-[2-hydroxy-5-(1-methylethenyl)-3,6-dihydrooxaborin-6-yl]-2-(2-pyridinyl)but-1-enyl]phenol IUPAC Name: 3-[(Z)-4-(2-hydroxy-5-prop-1-en-2-yl-3,6-dihydrooxaborinin-6-yl)-2-pyridin-2-ylbut-1-enyl]phenol Traditional Name: 3-[(Z)-4-(2-hydroxy-5-isopropenyl-3,6-dihydrooxaborin-6-yl)-2-(2-pyridyl)but-1-enyl]phenol Formula: C22H24BNO3 MolecularWeight: 361.24186

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC=C(C(O1)CCC(=CC2=CC(=CC=C2)O)C3=CC=CC=N3)C(=C)C)O

Isomeric SMILES

B1(CC=C(C(O1)CC/C(=C/C2=CC(=CC=C2)O)/C3=CC=CC=N3)C(=C)C)O

InChI

InChI=1S/C22H24BNO3/c1-16(2)20-11-12-23(26)27-22(20)10-9-18(21-8-3-4-13-24-21)14-17-6-5-7-19(25)15-17/h3-8,11,13-15,22,25-26H,1,9-10,12H2,2H3/b18-14-