ethyl 2-[5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate Openeye Name: ethyl 2-[5-[2-(4,4,7-trimethylchroman-6-yl)ethynyl]pyridazin-3-yl]acetate CAS Name: 2-[5-[2-(4,4,7-trimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]acetate Traditional Name: 2-[5-[2-(4,4,7-trimethylchroman-6-yl)ethynyl]pyridazin-3-yl]acetic acid ethyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=CC(=C1)C#CC2=CC3=C(C=C2C)OCCC3(C)C

Isomeric SMILES

CCOC(=O)CC1=NN=CC(=C1)C#CC2=CC3=C(C=C2C)OCCC3(C)C

InChI

InChI=1S/C22H24N2O3/c1-5-26-21(25)13-18-11-16(14-23-24-18)6-7-17-12-19-20(10-15(17)2)27-9-8-22(19,3)4/h10-12,14H,5,8-9,13H2,1-4H3