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

Systemtic Name: ethyl 5-[6-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]pentanoate Openeye Name: ethyl 5-[6-[2-(4,4-diethylchroman-6-yl)ethynyl]-3-pyridyl]pentanoate CAS Name: 5-[6-[2-(4,4-diethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[6-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]pentanoate Traditional Name: 5-[6-[2-(4,4-diethylchroman-6-yl)ethynyl]-3-pyridyl]valeric acid ethyl ester Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCOC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)CCCCC(=O)OCC)CC

Isomeric SMILES

CCC1(CCOC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)CCCCC(=O)OCC)CC

InChI

InChI=1S/C27H33NO3/c1-4-27(5-2)17-18-31-25-16-13-21(19-24(25)27)11-14-23-15-12-22(20-28-23)9-7-8-10-26(29)30-6-3/h12-13,15-16,19-20H,4-10,17-18H2,1-3H3