3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]-2-pyrrol-1-yl-propanoic acid

Systemtic Name: 3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]-2-pyrrol-1-yl-propanoic acid Openeye Name: 3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]-2-pyrrol-1-yl-propanoic acid CAS Name: 3-[4-[2-[[oxo-[4-(2-pyridinyl)phenyl]methyl]amino]ethoxy]phenyl]-2-(1-pyrrolyl)propanoic acid IUPAC Name: 3-[4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]-2-pyrrol-1-ylpropanoic acid Traditional Name: 3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]-2-pyrrol-1-yl-propionic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=C(C=C2)C(=O)NCCOC3=CC=C(C=C3)CC(C(=O)O)N4C=CC=C4

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=C(C=C2)C(=O)NCCOC3=CC=C(C=C3)CC(C(=O)O)N4C=CC=C4

InChI

InChI=1S/C27H25N3O4/c31-26(22-10-8-21(9-11-22)24-5-1-2-14-28-24)29-15-18-34-23-12-6-20(7-13-23)19-25(27(32)33)30-16-3-4-17-30/h1-14,16-17,25H,15,18-19H2,(H,29,31)(H,32,33)