ethyl 3-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 3-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 3-[2-(4,4-dimethylchroman-6-yl)ethynyl]benzoate CAS Name: 3-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]benzoate Traditional Name: 3-[2-(4,4-dimethylchroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C22H22O3 MolecularWeight: 334.40828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C

InChI

InChI=1S/C22H22O3/c1-4-24-21(23)18-7-5-6-16(14-18)8-9-17-10-11-20-19(15-17)22(2,3)12-13-25-20/h5-7,10-11,14-15H,4,12-13H2,1-3H3