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

Systemtic Name: 7-[2-(4-ethoxyphenyl)ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine Openeye Name: 7-[2-(4-ethoxyphenyl)ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine CAS Name: 7-[2-(4-ethoxyphenyl)ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin IUPAC Name: 7-[2-(4-ethoxyphenyl)ethynyl]-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine Traditional Name: 3,3-dimethyl-7-(2-p-phenetylethynyl)-2,4-dihydro-1,5-benzodioxepin Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OCC(CO3)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OCC(CO3)(C)C

InChI

InChI=1S/C21H22O3/c1-4-22-18-10-7-16(8-11-18)5-6-17-9-12-19-20(13-17)24-15-21(2,3)14-23-19/h7-13H,4,14-15H2,1-3H3