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

Systemtic Name: 2-[3-bromanyl-5-[[(1-carboxycyclopentyl)methyl-(2-cyclopropylethanoyl)amino]methyl]-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(2-cyclopropylacetyl)amino]methyl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(2-cyclopropyl-1-oxoethyl)amino]methyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(2-cyclopropylacetyl)amino]methyl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(2-cyclopropylacetyl)amino]methyl]benzofuran-2-yl]benzoic acid Formula: C28H28BrNO6 MolecularWeight: 554.42902

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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)CC5CC5)C(=O)O

Isomeric SMILES

C1CCC(C1)(CN(CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)CC5CC5)C(=O)O

InChI

InChI=1S/C28H28BrNO6/c29-24-21-13-18(9-10-22(21)36-25(24)19-5-1-2-6-20(19)26(32)33)15-30(23(31)14-17-7-8-17)16-28(27(34)35)11-3-4-12-28/h1-2,5-6,9-10,13,17H,3-4,7-8,11-12,14-16H2,(H,32,33)(H,34,35)