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

Systemtic Name: ethyl 3-[6-[2-(4,4-diethyl-2,3-dihydrochromen-2-yl)ethynyl]pyridin-3-yl]propanoate Openeye Name: ethyl 3-[6-[2-(4,4-diethylchroman-2-yl)ethynyl]-3-pyridyl]propanoate CAS Name: 3-[6-[2-(4,4-diethyl-3,4-dihydro-2H-1-benzopyran-2-yl)ethynyl]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[2-(4,4-diethyl-2,3-dihydrochromen-2-yl)ethynyl]pyridin-3-yl]propanoate Traditional Name: 3-[6-[2-(4,4-diethylchroman-2-yl)ethynyl]-3-pyridyl]propionic acid ethyl ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(OC2=CC=CC=C21)C#CC3=NC=C(C=C3)CCC(=O)OCC)CC

Isomeric SMILES

CCC1(CC(OC2=CC=CC=C21)C#CC3=NC=C(C=C3)CCC(=O)OCC)CC

InChI

InChI=1S/C25H29NO3/c1-4-25(5-2)17-21(29-23-10-8-7-9-22(23)25)15-14-20-13-11-19(18-26-20)12-16-24(27)28-6-3/h7-11,13,18,21H,4-6,12,16-17H2,1-3H3