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

Systemtic Name: 7-[2-[4-(ethoxymethyl)phenyl]ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine Openeye Name: 7-[2-[4-(ethoxymethyl)phenyl]ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine CAS Name: 7-[2-[4-(ethoxymethyl)phenyl]ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin IUPAC Name: 7-[2-[4-(ethoxymethyl)phenyl]ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine Traditional Name: 7-[2-[4-(ethoxymethyl)phenyl]ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin Formula: C22H24O3 MolecularWeight: 336.42416

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OCC(CO3)(C)C

Isomeric SMILES

CCOCC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OCC(CO3)(C)C

InChI

InChI=1S/C22H24O3/c1-4-23-14-19-9-6-17(7-10-19)5-8-18-11-12-20-21(13-18)25-16-22(2,3)15-24-20/h6-7,9-13H,4,14-16H2,1-3H3