2-(4-ethoxy-2,6-dimethyl-phenoxy)-6-methyl-4-(oxolan-3-ylamino)pyridine-3-carboxylic acid

Systemtic Name: 2-(4-ethoxy-2,6-dimethyl-phenoxy)-6-methyl-4-(oxolan-3-ylamino)pyridine-3-carboxylic acid Openeye Name: 2-(4-ethoxy-2,6-dimethyl-phenoxy)-6-methyl-4-(tetrahydrofuran-3-ylamino)pyridine-3-carboxylic acid CAS Name: 2-(4-ethoxy-2,6-dimethylphenoxy)-6-methyl-4-(3-oxolanylamino)-3-pyridinecarboxylic acid IUPAC Name: 2-(4-ethoxy-2,6-dimethylphenoxy)-6-methyl-4-(oxolan-3-ylamino)pyridine-3-carboxylic acid Traditional Name: 2-(4-ethoxy-2,6-dimethyl-phenoxy)-6-methyl-4-(tetrahydrofuran-3-ylamino)nicotinic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)C)OC2=C(C(=CC(=N2)C)NC3CCOC3)C(=O)O)C

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C)OC2=C(C(=CC(=N2)C)NC3CCOC3)C(=O)O)C

InChI

InChI=1S/C21H26N2O5/c1-5-27-16-8-12(2)19(13(3)9-16)28-20-18(21(24)25)17(10-14(4)22-20)23-15-6-7-26-11-15/h8-10,15H,5-7,11H2,1-4H3,(H,22,23)(H,24,25)