2-[(5-chloranylpyridin-2-yl)carbamoyl]-3-(cyclohexylcarbonylamino)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-benzofuran-5-carboxylic acid

Systemtic Name: 2-[(5-chloranylpyridin-2-yl)carbamoyl]-3-(cyclohexylcarbonylamino)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-benzofuran-5-carboxylic acid Openeye Name: 4-[tert-butoxycarbonyl(methyl)amino]-2-[(5-chloro-2-pyridyl)carbamoyl]-3-(cyclohexanecarbonylamino)benzofuran-5-carboxylic acid CAS Name: 2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-[[cyclohexyl(oxo)methyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-benzofurancarboxylic acid IUPAC Name: 2-[(5-chloropyridin-2-yl)carbamoyl]-3-(cyclohexanecarbonylamino)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-benzofuran-5-carboxylic acid Traditional Name: 4-[tert-butoxycarbonyl(methyl)amino]-2-[(5-chloro-2-pyridyl)carbamoyl]-3-(cyclohexanecarbonylamino)benzofuran-5-carboxylic acid Formula: C28H31ClN4O7 MolecularWeight: 571.02134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1=C(C=CC2=C1C(=C(O2)C(=O)NC3=NC=C(C=C3)Cl)NC(=O)C4CCCCC4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1=C(C=CC2=C1C(=C(O2)C(=O)NC3=NC=C(C=C3)Cl)NC(=O)C4CCCCC4)C(=O)O

InChI

InChI=1S/C28H31ClN4O7/c1-28(2,3)40-27(38)33(4)22-17(26(36)37)11-12-18-20(22)21(32-24(34)15-8-6-5-7-9-15)23(39-18)25(35)31-19-13-10-16(29)14-30-19/h10-15H,5-9H2,1-4H3,(H,32,34)(H,36,37)(H,30,31,35)