(7-bromanyl-3,3-dimethyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-yl) ethanoate

Systemtic Name: (7-bromanyl-3,3-dimethyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-yl) ethanoate Openeye Name: [7-bromo-3,3-dimethyl-5-(2-pyridyl)-2,4-dihydro-1-benzoxepin-5-yl] acetate CAS Name: acetic acid [7-bromo-3,3-dimethyl-5-(2-pyridinyl)-2,4-dihydro-1-benzoxepin-5-yl] ester IUPAC Name: (7-bromo-3,3-dimethyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-yl) acetate Traditional Name: acetic acid [7-bromo-3,3-dimethyl-5-(2-pyridyl)-2,4-dihydro-1-benzoxepin-5-yl] ester Formula: C19H20BrNO3 MolecularWeight: 390.271

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CC(COC2=C1C=C(C=C2)Br)(C)C)C3=CC=CC=N3

Isomeric SMILES

CC(=O)OC1(CC(COC2=C1C=C(C=C2)Br)(C)C)C3=CC=CC=N3

InChI

InChI=1S/C19H20BrNO3/c1-13(22)24-19(17-6-4-5-9-21-17)11-18(2,3)12-23-16-8-7-14(20)10-15(16)19/h4-10H,11-12H2,1-3H3