3-[3,4-bis(pyridin-3-ylcarbonyloxy)phenyl]-2-(pyridin-3-ylcarbonylamino)propanoic acid

Systemtic Name: 3-[3,4-bis(pyridin-3-ylcarbonyloxy)phenyl]-2-(pyridin-3-ylcarbonylamino)propanoic acid Openeye Name: 3-[3,4-bis(pyridine-3-carbonyloxy)phenyl]-2-(pyridine-3-carbonylamino)propanoic acid CAS Name: 3-[3,4-bis[oxo(3-pyridinyl)methoxy]phenyl]-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[3,4-bis(pyridine-3-carbonyloxy)phenyl]-2-(pyridine-3-carbonylamino)propanoic acid Traditional Name: 3-(3,4-dinicotinoyloxyphenyl)-2-nicotinamido-propionic acid Formula: C27H20N4O7 MolecularWeight: 512.4703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC(CC2=CC(=C(C=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC(CC2=CC(=C(C=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C27H20N4O7/c32-24(18-4-1-9-28-14-18)31-21(25(33)34)12-17-7-8-22(37-26(35)19-5-2-10-29-15-19)23(13-17)38-27(36)20-6-3-11-30-16-20/h1-11,13-16,21H,12H2,(H,31,32)(H,33,34)