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

Systemtic Name: 2-[5-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoic acid Openeye Name: 2-[5-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyridazin-3-yl]pentanoic acid CAS Name: 2-[5-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]pentanoic acid IUPAC Name: 2-[5-[2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoic acid Traditional Name: 2-[5-[2-(4,4-dimethylchroman-6-yl)ethynyl]pyridazin-3-yl]valeric acid Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=CC(=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C)C(=O)O

Isomeric SMILES

CCCC(C1=NN=CC(=C1)C#CC2=CC3=C(C=C2)OCCC3(C)C)C(=O)O

InChI

InChI=1S/C22H24N2O3/c1-4-5-17(21(25)26)19-13-16(14-23-24-19)7-6-15-8-9-20-18(12-15)22(2,3)10-11-27-20/h8-9,12-14,17H,4-5,10-11H2,1-3H3,(H,25,26)