ethyl 6-[2-(4,4-dimethyl-7-propyl-2,3-dihydrochromen-6-yl)ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(4,4-dimethyl-7-propyl-2,3-dihydrochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4,4-dimethyl-7-propyl-chroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(4,4-dimethyl-7-propyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4,4-dimethyl-7-propyl-2,3-dihydrochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4,4-dimethyl-7-propyl-chroman-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)OCC)C(CCO2)(C)C

Isomeric SMILES

CCCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)OCC)C(CCO2)(C)C

InChI

InChI=1S/C24H27NO3/c1-5-7-17-15-22-21(24(3,4)12-13-28-22)14-18(17)8-10-20-11-9-19(16-25-20)23(26)27-6-2/h9,11,14-16H,5-7,12-13H2,1-4H3