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

Systemtic Name: 4-[3-carboxy-4-(pyridin-3-ylmethoxycarbonyl)phenyl]carbonyl-2-(pyridin-3-ylmethoxycarbonyl)benzoic acid Openeye Name: 4-[3-carboxy-4-(3-pyridylmethoxycarbonyl)benzoyl]-2-(3-pyridylmethoxycarbonyl)benzoic acid CAS Name: 4-[[3-carboxy-4-[oxo(3-pyridinylmethoxy)methyl]phenyl]-oxomethyl]-2-[oxo(3-pyridinylmethoxy)methyl]benzoic acid IUPAC Name: 4-[3-carboxy-4-(pyridin-3-ylmethoxycarbonyl)benzoyl]-2-(pyridin-3-ylmethoxycarbonyl)benzoic acid Traditional Name: 4-[3-carboxy-4-(3-pyridylmethoxycarbonyl)benzoyl]-2-(3-pyridylmethoxycarbonyl)benzoic acid Formula: C29H20N2O9 MolecularWeight: 540.4771

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)COC(=O)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)OCC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)COC(=O)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)OCC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C29H20N2O9/c32-25(19-6-8-22(23(11-19)27(35)36)28(37)39-15-17-3-1-9-30-13-17)20-5-7-21(26(33)34)24(12-20)29(38)40-16-18-4-2-10-31-14-18/h1-14H,15-16H2,(H,33,34)(H,35,36)