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

Systemtic Name: ethyl 5-[6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Openeye Name: ethyl 5-[6-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyridazin-3-yl]pentanoate CAS Name: 5-[6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[6-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Traditional Name: 5-[6-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyridazin-3-yl]valeric acid ethyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1=NN=C(C=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C

Isomeric SMILES

CCOC(=O)CCCCC1=NN=C(C=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C

InChI

InChI=1S/C24H28N2O3/c1-4-28-23(27)8-6-5-7-19-12-13-20(26-25-19)11-9-18-10-14-22-21(17-18)24(2,3)15-16-29-22/h10,12-14,17H,4-8,15-16H2,1-3H3