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

Systemtic Name: 4-[[2-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]-4-cyano-phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-[(3-chloro-4-methoxy-phenyl)methylcarbamoyl]-4-cyano-phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-[[(3-chloro-4-methoxyphenyl)methylamino]-oxomethyl]-4-cyanoanilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-4-cyanophenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-[(3-chloro-4-methoxy-benzyl)carbamoyl]-4-cyano-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)C#N)NC(=O)C3CCC(CC3)C(=O)O)Cl

Isomeric SMILES

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

InChI

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