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

Systemtic Name: 2-[3-bromanyl-5-[[(1-carboxycyclopentyl)methyl-cyclopentylcarbonyl-amino]methyl]-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(cyclopentanecarbonyl)amino]methyl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-[cyclopentyl(oxo)methyl]amino]methyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(cyclopentanecarbonyl)amino]methyl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(cyclopentanecarbonyl)amino]methyl]benzofuran-2-yl]benzoic acid Formula: C29H30BrNO6 MolecularWeight: 568.4556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N(CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)CC5(CCCC5)C(=O)O

Isomeric SMILES

C1CCC(C1)C(=O)N(CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)CC5(CCCC5)C(=O)O

InChI

InChI=1S/C29H30BrNO6/c30-24-22-15-18(11-12-23(22)37-25(24)20-9-3-4-10-21(20)27(33)34)16-31(26(32)19-7-1-2-8-19)17-29(28(35)36)13-5-6-14-29/h3-4,9-12,15,19H,1-2,5-8,13-14,16-17H2,(H,33,34)(H,35,36)