8-bromanyl-3,3,7-trimethyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-ol

Systemtic Name: 8-bromanyl-3,3,7-trimethyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-ol Openeye Name: 8-bromo-3,3,7-trimethyl-5-(2-pyridyl)-2,4-dihydro-1-benzoxepin-5-ol CAS Name: 8-bromo-3,3,7-trimethyl-5-(2-pyridinyl)-2,4-dihydro-1-benzoxepin-5-ol IUPAC Name: 8-bromo-3,3,7-trimethyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-ol Traditional Name: 8-bromo-3,3,7-trimethyl-5-(2-pyridyl)-2,4-dihydro-1-benzoxepin-5-ol Formula: C18H20BrNO2 MolecularWeight: 362.2609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CC(CO2)(C)C)(C3=CC=CC=N3)O)Br

Isomeric SMILES

CC1=C(C=C2C(=C1)C(CC(CO2)(C)C)(C3=CC=CC=N3)O)Br

InChI

InChI=1S/C18H20BrNO2/c1-12-8-13-15(9-14(12)19)22-11-17(2,3)10-18(13,21)16-6-4-5-7-20-16/h4-9,21H,10-11H2,1-3H3