2-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-pyridin-4-yl]benzoic acid

Systemtic Name: 2-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-pyridin-4-yl]benzoic acid Openeye Name: 2-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-pyridyl]benzoic acid CAS Name: 2-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-pyridinyl]benzoic acid IUPAC Name: 2-[3,5-bis(ethoxycarbonyl)-2,6-dimethylpyridin-4-yl]benzoic acid Traditional Name: 2-(3,5-dicarbethoxy-2,6-dimethyl-4-pyridyl)benzoic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2C(=O)O)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2C(=O)O)C(=O)OCC)C)C

InChI

InChI=1S/C20H21NO6/c1-5-26-19(24)15-11(3)21-12(4)16(20(25)27-6-2)17(15)13-9-7-8-10-14(13)18(22)23/h7-10H,5-6H2,1-4H3,(H,22,23)