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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OCC(CO3)(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OCC(CO3)(C)C

InChI

InChI=1S/C22H24O3/c1-4-13-23-19-10-7-17(8-11-19)5-6-18-9-12-20-21(14-18)25-16-22(2,3)15-24-20/h7-12,14H,4,13,15-16H2,1-3H3