3-[3-nitro-4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]-2-phenoxy-propanoic acid

Systemtic Name: 3-[3-nitro-4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]-2-phenoxy-propanoic acid Openeye Name: 3-[3-nitro-4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]-2-phenoxy-propanoic acid CAS Name: 3-[3-nitro-4-[2-[[oxo-[4-(2-pyridinyl)phenyl]methyl]amino]ethoxy]phenyl]-2-phenoxypropanoic acid IUPAC Name: 3-[3-nitro-4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]-2-phenoxypropanoic acid Traditional Name: 3-[3-nitro-4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]-2-phenoxy-propionic acid Formula: C29H25N3O7 MolecularWeight: 527.5247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CC2=CC(=C(C=C2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=N4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CC2=CC(=C(C=C2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=N4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C29H25N3O7/c33-28(22-12-10-21(11-13-22)24-8-4-5-15-30-24)31-16-17-38-26-14-9-20(18-25(26)32(36)37)19-27(29(34)35)39-23-6-2-1-3-7-23/h1-15,18,27H,16-17,19H2,(H,31,33)(H,34,35)