2-[[4-chloranyl-6-methyl-2-(2,4,6-trimethylphenoxy)pyridin-3-yl]methyl]propanedioic acid

Systemtic Name: 2-[[4-chloranyl-6-methyl-2-(2,4,6-trimethylphenoxy)pyridin-3-yl]methyl]propanedioic acid Openeye Name: 2-[[4-chloro-6-methyl-2-(2,4,6-trimethylphenoxy)-3-pyridyl]methyl]propanedioic acid CAS Name: 2-[[4-chloro-6-methyl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methyl]propanedioic acid IUPAC Name: 2-[[4-chloro-6-methyl-2-(2,4,6-trimethylphenoxy)pyridin-3-yl]methyl]propanedioic acid Traditional Name: 2-[[4-chloro-6-methyl-2-(2,4,6-trimethylphenoxy)-3-pyridyl]methyl]malonic acid Formula: C19H20ClNO5 MolecularWeight: 377.8188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC2=C(C(=CC(=N2)C)Cl)CC(C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC2=C(C(=CC(=N2)C)Cl)CC(C(=O)O)C(=O)O)C

InChI

InChI=1S/C19H20ClNO5/c1-9-5-10(2)16(11(3)6-9)26-17-13(15(20)7-12(4)21-17)8-14(18(22)23)19(24)25/h5-7,14H,8H2,1-4H3,(H,22,23)(H,24,25)