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

Systemtic Name: 2-[5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoic acid Openeye Name: 2-[5-[2-(4,4,7-trimethylchroman-6-yl)ethynyl]pyridazin-3-yl]pentanoic acid CAS Name: 2-[5-[2-(4,4,7-trimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]pentanoic acid IUPAC Name: 2-[5-[2-(4,4,7-trimethyl-2,3-dihydrochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoic acid Traditional Name: 2-[5-[2-(4,4,7-trimethylchroman-6-yl)ethynyl]pyridazin-3-yl]valeric acid Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3/c1-5-6-18(22(26)27)20-12-16(14-24-25-20)7-8-17-13-19-21(11-15(17)2)28-10-9-23(19,3)4/h11-14,18H,5-6,9-10H2,1-4H3,(H,26,27)