2-[3-(3-carboxypyridin-2-yl)-2,5,6-trimethyl-1,4-dihydropyridin-4-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[3-(3-carboxypyridin-2-yl)-2,5,6-trimethyl-1,4-dihydropyridin-4-yl]pyridine-3-carboxylic acid Openeye Name: 2-[3-(3-carboxy-2-pyridyl)-2,5,6-trimethyl-1,4-dihydropyridin-4-yl]pyridine-3-carboxylic acid CAS Name: 2-[3-(3-carboxy-2-pyridinyl)-2,5,6-trimethyl-1,4-dihydropyridin-4-yl]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-(3-carboxypyridin-2-yl)-2,5,6-trimethyl-1,4-dihydropyridin-4-yl]pyridine-3-carboxylic acid Traditional Name: 2-[3-(3-carboxy-2-pyridyl)-2,5,6-trimethyl-1,4-dihydropyridin-4-yl]nicotinic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C(C1C2=C(C=CC=N2)C(=O)O)C3=C(C=CC=N3)C(=O)O)C)C

Isomeric SMILES

CC1=C(NC(=C(C1C2=C(C=CC=N2)C(=O)O)C3=C(C=CC=N3)C(=O)O)C)C

InChI

InChI=1S/C20H19N3O4/c1-10-11(2)23-12(3)16(18-14(20(26)27)7-5-9-22-18)15(10)17-13(19(24)25)6-4-8-21-17/h4-9,15,23H,1-3H3,(H,24,25)(H,26,27)