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

Systemtic Name: ethyl 5-[6-[2-(7-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]pentanoate Openeye Name: ethyl 5-[6-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]-3-pyridyl]pentanoate CAS Name: 5-[6-[2-(7-hexyl-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-hexyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridin-3-yl]pentanoate Traditional Name: 5-[6-[2-(7-hexyl-4,4-dimethyl-chroman-6-yl)ethynyl]-3-pyridyl]valeric 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)CCCCC(=O)OCC)C(CCO2)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H41NO3/c1-5-7-8-9-13-25-22-29-28(31(3,4)19-20-35-29)21-26(25)16-18-27-17-15-24(23-32-27)12-10-11-14-30(33)34-6-2/h15,17,21-23H,5-14,19-20H2,1-4H3