2-[[5-bromanyl-2-[(1-phenylcyclopropyl)carbonylamino]phenyl]carbonylamino]-3-phenoxy-propanoic acid

Systemtic Name: 2-[[5-bromanyl-2-[(1-phenylcyclopropyl)carbonylamino]phenyl]carbonylamino]-3-phenoxy-propanoic acid Openeye Name: 2-[[5-bromo-2-[(1-phenylcyclopropanecarbonyl)amino]benzoyl]amino]-3-phenoxy-propanoic acid CAS Name: 2-[[[5-bromo-2-[[oxo-(1-phenylcyclopropyl)methyl]amino]phenyl]-oxomethyl]amino]-3-phenoxypropanoic acid IUPAC Name: 2-[[5-bromo-2-[(1-phenylcyclopropanecarbonyl)amino]benzoyl]amino]-3-phenoxypropanoic acid Traditional Name: 2-[[5-bromo-2-[(1-phenylcyclopropanecarbonyl)amino]benzoyl]amino]-3-phenoxy-propionic acid Formula: C26H23BrN2O5 MolecularWeight: 523.37522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)NC(COC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)NC(COC4=CC=CC=C4)C(=O)O

InChI

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