2-[3-bromanyl-5-[[(1-carboxycyclopentyl)methyl-cyclopropylcarbonyl-amino]methyl]-1-benzofuran-2-yl]benzoic acid

Systemtic Name: 2-[3-bromanyl-5-[[(1-carboxycyclopentyl)methyl-cyclopropylcarbonyl-amino]methyl]-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(cyclopropanecarbonyl)amino]methyl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-[cyclopropyl(oxo)methyl]amino]methyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(cyclopropanecarbonyl)amino]methyl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(cyclopropanecarbonyl)amino]methyl]benzofuran-2-yl]benzoic acid Formula: C27H26BrNO6 MolecularWeight: 540.40244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CN(CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)C5CC5)C(=O)O

Isomeric SMILES

C1CCC(C1)(CN(CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)C5CC5)C(=O)O

InChI

InChI=1S/C27H26BrNO6/c28-22-20-13-16(7-10-21(20)35-23(22)18-5-1-2-6-19(18)25(31)32)14-29(24(30)17-8-9-17)15-27(26(33)34)11-3-4-12-27/h1-2,5-7,10,13,17H,3-4,8-9,11-12,14-15H2,(H,31,32)(H,33,34)