ethyl 4-[2-(4,4-dimethyl-7-propyl-2,3-dihydrochromen-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(4,4-dimethyl-7-propyl-2,3-dihydrochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(4,4-dimethyl-7-propyl-chroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4-dimethyl-7-propyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-dimethyl-7-propyl-2,3-dihydrochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(4,4-dimethyl-7-propyl-chroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C25H28O3 MolecularWeight: 376.48802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)OCC)C(CCO2)(C)C

Isomeric SMILES

CCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)OCC)C(CCO2)(C)C

InChI

InChI=1S/C25H28O3/c1-5-7-20-17-23-22(25(3,4)14-15-28-23)16-21(20)13-10-18-8-11-19(12-9-18)24(26)27-6-2/h8-9,11-12,16-17H,5-7,14-15H2,1-4H3