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

Systemtic Name: 3-[(Z)-4-(5-but-1-en-2-yl-2-oxidanyl-3,6-dihydro-1,2-oxaborinin-6-yl)-2-pyridin-2-yl-but-1-enyl]phenol Openeye Name: 3-[(Z)-4-[2-hydroxy-5-(1-methylenepropyl)-3,6-dihydrooxaborinin-6-yl]-2-(2-pyridyl)but-1-enyl]phenol CAS Name: 3-[(Z)-4-(5-but-1-en-2-yl-2-hydroxy-3,6-dihydrooxaborin-6-yl)-2-(2-pyridinyl)but-1-enyl]phenol IUPAC Name: 3-[(Z)-4-(5-but-1-en-2-yl-2-hydroxy-3,6-dihydrooxaborinin-6-yl)-2-pyridin-2-ylbut-1-enyl]phenol Traditional Name: 3-[(Z)-4-[5-(1-ethylvinyl)-2-hydroxy-3,6-dihydrooxaborin-6-yl]-2-(2-pyridyl)but-1-enyl]phenol Formula: C23H26BNO3 MolecularWeight: 375.26844

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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)CC)O

Isomeric SMILES

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

InChI

InChI=1S/C23H26BNO3/c1-3-17(2)21-12-13-24(27)28-23(21)11-10-19(22-9-4-5-14-25-22)15-18-7-6-8-20(26)16-18/h4-9,12,14-16,23,26-27H,2-3,10-11,13H2,1H3/b19-15-