4-[[4-chloranyl-2-[(3-cyano-4-methoxy-phenyl)methylcarbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-chloranyl-2-[(3-cyano-4-methoxy-phenyl)methylcarbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-chloro-2-[(3-cyano-4-methoxy-phenyl)methylcarbamoyl]phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[4-chloro-2-[[(3-cyano-4-methoxyphenyl)methylamino]-oxomethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-chloro-2-[(3-cyano-4-methoxyphenyl)methylcarbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-chloro-2-[(3-cyano-4-methoxy-benzyl)carbamoyl]phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C24H24ClN3O5 MolecularWeight: 469.91746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O5/c1-33-21-9-2-14(10-17(21)12-26)13-27-23(30)19-11-18(25)7-8-20(19)28-22(29)15-3-5-16(6-4-15)24(31)32/h2,7-11,15-16H,3-6,13H2,1H3,(H,27,30)(H,28,29)(H,31,32)