3,6-bis[2-(4-methylpyridin-2-yl)pyridin-4-yl]cyclohex-4-ene-1,2-dicarboxylic acid

Systemtic Name: 3,6-bis[2-(4-methylpyridin-2-yl)pyridin-4-yl]cyclohex-4-ene-1,2-dicarboxylic acid Openeye Name: 3,6-bis[2-(4-methyl-2-pyridyl)-4-pyridyl]cyclohex-4-ene-1,2-dicarboxylic acid CAS Name: 3,6-bis[2-(4-methyl-2-pyridinyl)-4-pyridinyl]cyclohex-4-ene-1,2-dicarboxylic acid IUPAC Name: 3,6-bis[2-(4-methylpyridin-2-yl)pyridin-4-yl]cyclohex-4-ene-1,2-dicarboxylic acid Traditional Name: 3,6-bis[2-(4-methyl-2-pyridyl)-4-pyridyl]cyclohex-4-ene-1,2-dicarboxylic acid Formula: C30H26N4O4 MolecularWeight: 506.55184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=NC=CC(=C2)C3C=CC(C(C3C(=O)O)C(=O)O)C4=CC(=NC=C4)C5=NC=CC(=C5)C

Isomeric SMILES

CC1=CC(=NC=C1)C2=NC=CC(=C2)C3C=CC(C(C3C(=O)O)C(=O)O)C4=CC(=NC=C4)C5=NC=CC(=C5)C

InChI

InChI=1S/C30H26N4O4/c1-17-5-9-31-23(13-17)25-15-19(7-11-33-25)21-3-4-22(28(30(37)38)27(21)29(35)36)20-8-12-34-26(16-20)24-14-18(2)6-10-32-24/h3-16,21-22,27-28H,1-2H3,(H,35,36)(H,37,38)