4-[3-carboxy-4-(2-pyridin-2-ylethoxycarbonyl)phenyl]carbonyl-2-(2-pyridin-2-ylethoxycarbonyl)benzoic acid

Systemtic Name: 4-[3-carboxy-4-(2-pyridin-2-ylethoxycarbonyl)phenyl]carbonyl-2-(2-pyridin-2-ylethoxycarbonyl)benzoic acid Openeye Name: 4-[3-carboxy-4-[2-(2-pyridyl)ethoxycarbonyl]benzoyl]-2-[2-(2-pyridyl)ethoxycarbonyl]benzoic acid CAS Name: 4-[[3-carboxy-4-[oxo-[2-(2-pyridinyl)ethoxy]methyl]phenyl]-oxomethyl]-2-[oxo-[2-(2-pyridinyl)ethoxy]methyl]benzoic acid IUPAC Name: 4-[3-carboxy-4-(2-pyridin-2-ylethoxycarbonyl)benzoyl]-2-(2-pyridin-2-ylethoxycarbonyl)benzoic acid Traditional Name: 4-[3-carboxy-4-[2-(2-pyridyl)ethoxycarbonyl]benzoyl]-2-[2-(2-pyridyl)ethoxycarbonyl]benzoic acid Formula: C31H24N2O9 MolecularWeight: 568.53026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCOC(=O)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)OCCC4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCOC(=O)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)OCCC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C31H24N2O9/c34-27(19-8-10-24(25(17-19)29(37)38)30(39)41-15-11-21-5-1-3-13-32-21)20-7-9-23(28(35)36)26(18-20)31(40)42-16-12-22-6-2-4-14-33-22/h1-10,13-14,17-18H,11-12,15-16H2,(H,35,36)(H,37,38)