2-[[2-[4-[(2-carboxyphenyl)methyl]pyridin-2-yl]pyridin-4-yl]methyl]benzoic acid

Systemtic Name: 2-[[2-[4-[(2-carboxyphenyl)methyl]pyridin-2-yl]pyridin-4-yl]methyl]benzoic acid Openeye Name: 2-[[2-[4-[(2-carboxyphenyl)methyl]-2-pyridyl]-4-pyridyl]methyl]benzoic acid CAS Name: 2-[[2-[4-[(2-carboxyphenyl)methyl]-2-pyridinyl]-4-pyridinyl]methyl]benzoic acid IUPAC Name: 2-[[2-[4-[(2-carboxyphenyl)methyl]pyridin-2-yl]pyridin-4-yl]methyl]benzoic acid Traditional Name: 2-[[2-[4-(2-carboxybenzyl)-2-pyridyl]-4-pyridyl]methyl]benzoic acid Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC(=NC=C2)C3=NC=CC(=C3)CC4=CC=CC=C4C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC(=NC=C2)C3=NC=CC(=C3)CC4=CC=CC=C4C(=O)O)C(=O)O

InChI

InChI=1S/C26H20N2O4/c29-25(30)21-7-3-1-5-19(21)13-17-9-11-27-23(15-17)24-16-18(10-12-28-24)14-20-6-2-4-8-22(20)26(31)32/h1-12,15-16H,13-14H2,(H,29,30)(H,31,32)