2-[[6-ethyl-4-pentan-3-yloxy-2-[(2,4,6-trimethylphenyl)amino]pyridin-3-yl]methyl]propanedioic acid

Systemtic Name: 2-[[6-ethyl-4-pentan-3-yloxy-2-[(2,4,6-trimethylphenyl)amino]pyridin-3-yl]methyl]propanedioic acid Openeye Name: 2-[[6-ethyl-4-(1-ethylpropoxy)-2-(2,4,6-trimethylanilino)-3-pyridyl]methyl]propanedioic acid CAS Name: 2-[[6-ethyl-4-pentan-3-yloxy-2-(2,4,6-trimethylanilino)-3-pyridinyl]methyl]propanedioic acid IUPAC Name: 2-[[6-ethyl-4-pentan-3-yloxy-2-(2,4,6-trimethylanilino)pyridin-3-yl]methyl]propanedioic acid Traditional Name: 2-[[6-ethyl-4-(1-ethylpropoxy)-2-mesidino-3-pyridyl]methyl]malonic acid Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=C1)OC(CC)CC)CC(C(=O)O)C(=O)O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCC1=NC(=C(C(=C1)OC(CC)CC)CC(C(=O)O)C(=O)O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C25H34N2O5/c1-7-17-12-21(32-18(8-2)9-3)19(13-20(24(28)29)25(30)31)23(26-17)27-22-15(5)10-14(4)11-16(22)6/h10-12,18,20H,7-9,13H2,1-6H3,(H,26,27)(H,28,29)(H,30,31)