2-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoic acid

Systemtic Name: 2-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoic acid Openeye Name: 2-[5-[2-(4,4-diethyl-7-methyl-chroman-6-yl)ethynyl]pyrimidin-2-yl]acetic acid CAS Name: 2-[5-[2-(4,4-diethyl-7-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-2-pyrimidinyl]acetic acid IUPAC Name: 2-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-6-yl)ethynyl]pyrimidin-2-yl]acetic acid Traditional Name: 2-[5-[2-(4,4-diethyl-7-methyl-chroman-6-yl)ethynyl]pyrimidin-2-yl]acetic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCOC2=C1C=C(C(=C2)C)C#CC3=CN=C(N=C3)CC(=O)O)CC

Isomeric SMILES

CCC1(CCOC2=C1C=C(C(=C2)C)C#CC3=CN=C(N=C3)CC(=O)O)CC

InChI

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