methyl 3-(cyclohexylcarbonylamino)-5-[[(4-imidazol-1-ylphenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-(cyclohexylcarbonylamino)-5-[[(4-imidazol-1-ylphenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-(cyclohexanecarbonylamino)-5-[[(4-imidazol-1-ylbenzoyl)amino]methyl]benzoate CAS Name: 3-[[cyclohexyl(oxo)methyl]amino]-5-[[[[4-(1-imidazolyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(cyclohexanecarbonylamino)-5-[[(4-imidazol-1-ylbenzoyl)amino]methyl]benzoate Traditional Name: 3-(cyclohexanecarbonylamino)-5-[[(4-imidazol-1-ylbenzoyl)amino]methyl]benzoic acid methyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCCC2)CNC(=O)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCCC2)CNC(=O)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C26H28N4O4/c1-34-26(33)21-13-18(14-22(15-21)29-25(32)19-5-3-2-4-6-19)16-28-24(31)20-7-9-23(10-8-20)30-12-11-27-17-30/h7-15,17,19H,2-6,16H2,1H3,(H,28,31)(H,29,32)