ethyl 3-[6-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]propanoate

Systemtic Name: ethyl 3-[6-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]propanoate Openeye Name: ethyl 3-[6-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]-3-pyridyl]propanoate CAS Name: 3-[6-[2-(4,4-diethyl-7-hexyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]propanoate Traditional Name: 3-[6-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]-3-pyridyl]propionic acid ethyl ester Formula: C31H41NO3 MolecularWeight: 475.66214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CCC(=O)OCC)C(CCO2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CCC(=O)OCC)C(CCO2)(CC)CC

InChI

InChI=1S/C31H41NO3/c1-5-9-10-11-12-25-22-29-28(31(6-2,7-3)19-20-35-29)21-26(25)15-17-27-16-13-24(23-32-27)14-18-30(33)34-8-4/h13,16,21-23H,5-12,14,18-20H2,1-4H3