2-ethyl-2-(2-ethyl-4-pyridin-2-yl-phenyl)propanedioic acid

Systemtic Name: 2-ethyl-2-(2-ethyl-4-pyridin-2-yl-phenyl)propanedioic acid Openeye Name: 2-ethyl-2-[2-ethyl-4-(2-pyridyl)phenyl]propanedioic acid CAS Name: 2-ethyl-2-[2-ethyl-4-(2-pyridinyl)phenyl]propanedioic acid IUPAC Name: 2-ethyl-2-(2-ethyl-4-pyridin-2-ylphenyl)propanedioic acid Traditional Name: 2-ethyl-2-[2-ethyl-4-(2-pyridyl)phenyl]malonic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=CC=CC=N2)C(CC)(C(=O)O)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=CC=CC=N2)C(CC)(C(=O)O)C(=O)O

InChI

InChI=1S/C18H19NO4/c1-3-12-11-13(15-7-5-6-10-19-15)8-9-14(12)18(4-2,16(20)21)17(22)23/h5-11H,3-4H2,1-2H3,(H,20,21)(H,22,23)