5-[6-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate

Systemtic Name: 5-[6-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Openeye Name: 5-[6-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]pyridazin-3-yl]pentanoate CAS Name: 5-[6-[2-(2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]pentanoate IUPAC Name: 5-[6-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Traditional Name: 5-[6-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]pyridazin-3-yl]valerate Formula: C24H27N2O3- MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC2=C1C=C(C=C2)C#CC3=NN=C(C=C3)CCCCC(=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(OC2=C1C=C(C=C2)C#CC3=NN=C(C=C3)CCCCC(=O)[O-])(C)C)C

InChI

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