ethyl 3-[2-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)ethynyl]benzoate

Systemtic Name: ethyl 3-[2-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)ethynyl]benzoate Openeye Name: ethyl 3-[2-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)ethynyl]benzoate CAS Name: 3-[2-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)ethynyl]benzoate Traditional Name: 3-[2-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)ethynyl]benzoic acid ethyl ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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