ethyl 5-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]pentanoate

Systemtic Name: ethyl 5-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]pentanoate Openeye Name: ethyl 5-[6-[2-(7-ethyl-4,4-dimethyl-chroman-6-yl)ethynyl]-3-pyridyl]pentanoate CAS Name: 5-[6-[2-(7-ethyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]pentanoate Traditional Name: 5-[6-[2-(7-ethyl-4,4-dimethyl-chroman-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=CC2=C(C=C1C#CC3=NC=C(C=C3)CCCCC(=O)OCC)C(CCO2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CCCCC(=O)OCC)C(CCO2)(C)C

InChI

InChI=1S/C27H33NO3/c1-5-21-18-25-24(27(3,4)15-16-31-25)17-22(21)12-14-23-13-11-20(19-28-23)9-7-8-10-26(29)30-6-2/h11,13,17-19H,5-10,15-16H2,1-4H3