[6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl] butanoate

Systemtic Name: [6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl] butanoate Openeye Name: [6-[2-(4,4-dimethylchroman-6-yl)ethynyl]-3-pyridyl] butanoate CAS Name: butanoic acid [6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(4,4-dimethylchroman-6-yl)ethynyl]-3-pyridyl] ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CN=C(C=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C

Isomeric SMILES

CCCC(=O)OC1=CN=C(C=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C

InChI

InChI=1S/C22H23NO3/c1-4-5-21(24)26-18-10-9-17(23-15-18)8-6-16-7-11-20-19(14-16)22(2,3)12-13-25-20/h7,9-11,14-15H,4-5,12-13H2,1-3H3