2-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[[4-(dimethylamino)cyclohexyl]carbonylamino]-1-benzofuran-6-yl]oxy]ethanoic acid hydrochloride

Systemtic Name: 2-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[[4-(dimethylamino)cyclohexyl]carbonylamino]-1-benzofuran-6-yl]oxy]ethanoic acid hydrochloride Openeye Name: 2-[2-[(5-chloro-2-pyridyl)carbamoyl]-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]benzofuran-6-yl]oxyacetic acid hydrochloride CAS Name: 2-[[2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-[[[4-(dimethylamino)cyclohexyl]-oxomethyl]amino]-6-benzofuranyl]oxy]acetic acid hydrochloride IUPAC Name: 2-[[2-[(5-chloropyridin-2-yl)carbamoyl]-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-6-yl]oxy]acetic acid hydrochloride Traditional Name: 2-[2-[(5-chloro-2-pyridyl)carbamoyl]-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]benzofuran-6-yl]oxyacetic acid hydrochloride Formula: C25H28Cl2N4O6 MolecularWeight: 551.41902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCC(CC1)C(=O)NC2=C(OC3=C2C=CC(=C3)OCC(=O)O)C(=O)NC4=NC=C(C=C4)Cl.Cl

Isomeric SMILES

CN(C)C1CCC(CC1)C(=O)NC2=C(OC3=C2C=CC(=C3)OCC(=O)O)C(=O)NC4=NC=C(C=C4)Cl.Cl

InChI

InChI=1S/C25H27ClN4O6.ClH/c1-30(2)16-6-3-14(4-7-16)24(33)29-22-18-9-8-17(35-13-21(31)32)11-19(18)36-23(22)25(34)28-20-10-5-15(26)12-27-20;/h5,8-12,14,16H,3-4,6-7,13H2,1-2H3,(H,29,33)(H,31,32)(H,27,28,34);1H