methyl 4-[[5-aminocarbonyl-4-(propanoylamino)imidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-aminocarbonyl-4-(propanoylamino)imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[5-carbamoyl-4-(propanoylamino)imidazol-1-yl]methyl]benzoate CAS Name: 4-[[5-carbamoyl-4-(1-oxopropylamino)-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-carbamoyl-4-(propanoylamino)imidazol-1-yl]methyl]benzoate Traditional Name: 4-[(5-carbamoyl-4-propionamido-imidazol-1-yl)methyl]benzoic acid methyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(N(C=N1)CC2=CC=C(C=C2)C(=O)OC)C(=O)N

Isomeric SMILES

CCC(=O)NC1=C(N(C=N1)CC2=CC=C(C=C2)C(=O)OC)C(=O)N

InChI

InChI=1S/C16H18N4O4/c1-3-12(21)19-15-13(14(17)22)20(9-18-15)8-10-4-6-11(7-5-10)16(23)24-2/h4-7,9H,3,8H2,1-2H3,(H2,17,22)(H,19,21)