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

Systemtic Name: ethyl 3-[6-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]propanoate Openeye Name: ethyl 3-[6-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]-3-pyridyl]propanoate CAS Name: 3-[6-[2-(7-hexyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]propanoate Traditional Name: 3-[6-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]-3-pyridyl]propionic acid ethyl ester Formula: C29H37NO3 MolecularWeight: 447.60898

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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)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO3/c1-5-7-8-9-10-23-20-27-26(29(3,4)17-18-33-27)19-24(23)13-15-25-14-11-22(21-30-25)12-16-28(31)32-6-2/h11,14,19-21H,5-10,12,16-18H2,1-4H3