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

Systemtic Name: ethyl 5-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]pentanoate Openeye Name: ethyl 5-[6-[2-(4,4-diethyl-7-methyl-chroman-6-yl)ethynyl]-3-pyridyl]pentanoate CAS Name: 5-[6-[2-(4,4-diethyl-7-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]pentanoate Traditional Name: 5-[6-[2-(4,4-diethyl-7-methyl-chroman-6-yl)ethynyl]-3-pyridyl]valeric acid ethyl ester Formula: C28H35NO3 MolecularWeight: 433.5824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO3/c1-5-28(6-2)16-17-32-26-18-21(4)23(19-25(26)28)13-15-24-14-12-22(20-29-24)10-8-9-11-27(30)31-7-3/h12,14,18-20H,5-11,16-17H2,1-4H3