ethyl 5-[4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]pentanoate

Systemtic Name: ethyl 5-[4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]pentanoate Openeye Name: ethyl 5-[4-[2-(4,4-dimethylchroman-6-yl)ethynyl]phenyl]pentanoate CAS Name: 5-[4-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]pentanoate Traditional Name: 5-[4-[2-(4,4-dimethylchroman-6-yl)ethynyl]phenyl]valeric acid ethyl ester Formula: C26H30O3 MolecularWeight: 390.5146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C

Isomeric SMILES

CCOC(=O)CCCCC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C

InChI

InChI=1S/C26H30O3/c1-4-28-25(27)8-6-5-7-20-9-11-21(12-10-20)13-14-22-15-16-24-23(19-22)26(2,3)17-18-29-24/h9-12,15-16,19H,4-8,17-18H2,1-3H3