4-[[4-chloranyl-2-[(6-methoxypyridin-3-yl)methylcarbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-chloranyl-2-[(6-methoxypyridin-3-yl)methylcarbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-chloro-2-[(6-methoxy-3-pyridyl)methylcarbamoyl]phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[4-chloro-2-[[(6-methoxy-3-pyridinyl)methylamino]-oxomethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-chloro-2-[(6-methoxypyridin-3-yl)methylcarbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-chloro-2-[(6-methoxy-3-pyridyl)methylcarbamoyl]phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=NC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H24ClN3O5/c1-31-19-9-2-13(11-24-19)12-25-21(28)17-10-16(23)7-8-18(17)26-20(27)14-3-5-15(6-4-14)22(29)30/h2,7-11,14-15H,3-6,12H2,1H3,(H,25,28)(H,26,27)(H,29,30)