[6-[2-(4,4,7-triethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl] butanoate

Systemtic Name: [6-[2-(4,4,7-triethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl] butanoate Openeye Name: [6-[2-(4,4,7-triethylchroman-6-yl)ethynyl]-3-pyridyl] butanoate CAS Name: butanoic acid [6-[2-(4,4,7-triethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4,4,7-triethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl] butanoate Traditional Name: butyric acid [6-[2-(4,4,7-triethylchroman-6-yl)ethynyl]-3-pyridyl] ester Formula: C26H31NO3 MolecularWeight: 405.52924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CN=C(C=C1)C#CC2=CC3=C(C=C2CC)OCCC3(CC)CC

Isomeric SMILES

CCCC(=O)OC1=CN=C(C=C1)C#CC2=CC3=C(C=C2CC)OCCC3(CC)CC

InChI

InChI=1S/C26H31NO3/c1-5-9-25(28)30-22-13-12-21(27-18-22)11-10-20-16-23-24(17-19(20)6-2)29-15-14-26(23,7-3)8-4/h12-13,16-18H,5-9,14-15H2,1-4H3