7-butan-2-yl-3,3-dimethyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-ol

Systemtic Name: 7-butan-2-yl-3,3-dimethyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-ol Openeye Name: 3,3-dimethyl-5-(2-pyridyl)-7-sec-butyl-2,4-dihydro-1-benzoxepin-5-ol CAS Name: 7-butan-2-yl-3,3-dimethyl-5-(2-pyridinyl)-2,4-dihydro-1-benzoxepin-5-ol IUPAC Name: 7-butan-2-yl-3,3-dimethyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-ol Traditional Name: 3,3-dimethyl-5-(2-pyridyl)-7-sec-butyl-2,4-dihydro-1-benzoxepin-5-ol Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OCC(CC2(C3=CC=CC=N3)O)(C)C

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OCC(CC2(C3=CC=CC=N3)O)(C)C

InChI

InChI=1S/C21H27NO2/c1-5-15(2)16-9-10-18-17(12-16)21(23,13-20(3,4)14-24-18)19-8-6-7-11-22-19/h6-12,15,23H,5,13-14H2,1-4H3