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

Systemtic Name: ethyl 6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(7-ethyl-4,4-dimethyl-chroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(7-ethyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(7-ethyl-4,4-dimethyl-chroman-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)OCC)C(CCO2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)OCC)C(CCO2)(C)C

InChI

InChI=1S/C23H25NO3/c1-5-16-14-21-20(23(3,4)11-12-27-21)13-17(16)7-9-19-10-8-18(15-24-19)22(25)26-6-2/h8,10,13-15H,5-6,11-12H2,1-4H3