3-[(Z)-4-(2-oxidanyl-5-pent-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-pent-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-(1-methylenebutyl)-3,6-dihydrooxaborinin-6-yl]-2-(2-pyridyl)but-1-enyl]phenol CAS Name: 3-[(Z)-4-(2-hydroxy-5-pent-1-en-2-yl-3,6-dihydrooxaborin-6-yl)-2-(2-pyridinyl)but-1-enyl]phenol IUPAC Name: 3-[(Z)-4-(2-hydroxy-5-pent-1-en-2-yl-3,6-dihydrooxaborinin-6-yl)-2-pyridin-2-ylbut-1-enyl]phenol Traditional Name: 3-[(Z)-4-[2-hydroxy-5-(1-propylvinyl)-3,6-dihydrooxaborin-6-yl]-2-(2-pyridyl)but-1-enyl]phenol Formula: C24H28BNO3 MolecularWeight: 389.29502

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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)CCC)O

Isomeric SMILES

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

InChI

InChI=1S/C24H28BNO3/c1-3-7-18(2)22-13-14-25(28)29-24(22)12-11-20(23-10-4-5-15-26-23)16-19-8-6-9-21(27)17-19/h4-6,8-10,13,15-17,24,27-28H,2-3,7,11-12,14H2,1H3/b20-16-