2-[[5-bromanyl-2-[(2-phenylcyclopropyl)carbonylamino]phenyl]carbonylamino]-3-phenoxy-propanoic acid

Systemtic Name: 2-[[5-bromanyl-2-[(2-phenylcyclopropyl)carbonylamino]phenyl]carbonylamino]-3-phenoxy-propanoic acid Openeye Name: 2-[[5-bromo-2-[(2-phenylcyclopropanecarbonyl)amino]benzoyl]amino]-3-phenoxy-propanoic acid CAS Name: 2-[[[5-bromo-2-[[oxo-(2-phenylcyclopropyl)methyl]amino]phenyl]-oxomethyl]amino]-3-phenoxypropanoic acid IUPAC Name: 2-[[5-bromo-2-[(2-phenylcyclopropanecarbonyl)amino]benzoyl]amino]-3-phenoxypropanoic acid Traditional Name: 2-[[5-bromo-2-[(2-phenylcyclopropanecarbonyl)amino]benzoyl]amino]-3-phenoxy-propionic acid Formula: C26H23BrN2O5 MolecularWeight: 523.37522

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)NC2=C(C=C(C=C2)Br)C(=O)NC(COC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1C(C1C(=O)NC2=C(C=C(C=C2)Br)C(=O)NC(COC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H23BrN2O5/c27-17-11-12-22(28-24(30)20-14-19(20)16-7-3-1-4-8-16)21(13-17)25(31)29-23(26(32)33)15-34-18-9-5-2-6-10-18/h1-13,19-20,23H,14-15H2,(H,28,30)(H,29,31)(H,32,33)