2-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[[4-(propan-2-ylamino)cyclohexyl]carbonylamino]-1-benzofuran-5-carboxylic acid

Systemtic Name: 2-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[[4-(propan-2-ylamino)cyclohexyl]carbonylamino]-1-benzofuran-5-carboxylic acid Openeye Name: 2-[(5-chloro-2-pyridyl)carbamoyl]-3-[[4-(isopropylamino)cyclohexanecarbonyl]amino]benzofuran-5-carboxylic acid CAS Name: 2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-[[oxo-[4-(propan-2-ylamino)cyclohexyl]methyl]amino]-5-benzofurancarboxylic acid IUPAC Name: 2-[(5-chloropyridin-2-yl)carbamoyl]-3-[[4-(propan-2-ylamino)cyclohexanecarbonyl]amino]-1-benzofuran-5-carboxylic acid Traditional Name: 2-[(5-chloro-2-pyridyl)carbamoyl]-3-[[4-(isopropylamino)cyclohexanecarbonyl]amino]benzofuran-5-carboxylic acid Formula: C25H27ClN4O5 MolecularWeight: 498.95868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1CCC(CC1)C(=O)NC2=C(OC3=C2C=C(C=C3)C(=O)O)C(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

CC(C)NC1CCC(CC1)C(=O)NC2=C(OC3=C2C=C(C=C3)C(=O)O)C(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C25H27ClN4O5/c1-13(2)28-17-7-3-14(4-8-17)23(31)30-21-18-11-15(25(33)34)5-9-19(18)35-22(21)24(32)29-20-10-6-16(26)12-27-20/h5-6,9-14,17,28H,3-4,7-8H2,1-2H3,(H,30,31)(H,33,34)(H,27,29,32)