3,3-dimethyl-7-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethynyl]-2,4-dihydro-1,5-benzodioxepine

Systemtic Name: 3,3-dimethyl-7-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethynyl]-2,4-dihydro-1,5-benzodioxepine Openeye Name: 3,3-dimethyl-7-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethynyl]-2,4-dihydro-1,5-benzodioxepine CAS Name: 3,3-dimethyl-7-[2-[4-(2-oxiranylmethoxy)phenyl]ethynyl]-2,4-dihydro-1,5-benzodioxepin IUPAC Name: 3,3-dimethyl-7-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethynyl]-2,4-dihydro-1,5-benzodioxepine Traditional Name: 7-[2-(4-glycidoxyphenyl)ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OCC4CO4)OC1)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OCC4CO4)OC1)C

InChI

InChI=1S/C22H22O4/c1-22(2)14-25-20-10-7-17(11-21(20)26-15-22)4-3-16-5-8-18(9-6-16)23-12-19-13-24-19/h5-11,19H,12-15H2,1-2H3