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

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

CC(C1=CC(=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)[N+](=O)[O-])(C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)[N+](=O)[O-])(C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C29H25N3O7/c1-29(28(34)35,39-23-7-3-2-4-8-23)22-14-15-26(25(19-22)32(36)37)38-18-17-31-27(33)21-12-10-20(11-13-21)24-9-5-6-16-30-24/h2-16,19H,17-18H2,1H3,(H,31,33)(H,34,35)