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

Systemtic Name: ethyl 2-[4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]pentanoate Openeye Name: ethyl 2-[4-[2-(7-ethyl-4,4-dimethyl-chroman-6-yl)ethynyl]phenyl]pentanoate CAS Name: 2-[4-[2-(7-ethyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]pentanoate Traditional Name: 2-[4-[2-(7-ethyl-4,4-dimethyl-chroman-6-yl)ethynyl]phenyl]valeric acid ethyl ester Formula: C28H34O3 MolecularWeight: 418.56776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C#CC2=CC3=C(C=C2CC)OCCC3(C)C)C(=O)OCC

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C#CC2=CC3=C(C=C2CC)OCCC3(C)C)C(=O)OCC

InChI

InChI=1S/C28H34O3/c1-6-9-24(27(29)30-8-3)22-13-10-20(11-14-22)12-15-23-18-25-26(19-21(23)7-2)31-17-16-28(25,4)5/h10-11,13-14,18-19,24H,6-9,16-17H2,1-5H3