tert-butyl 4-[(5-aminocarbonyl-1H-imidazol-4-yl)-propanoyl-amino]benzoate

Systemtic Name: tert-butyl 4-[(5-aminocarbonyl-1H-imidazol-4-yl)-propanoyl-amino]benzoate Openeye Name: tert-butyl 4-[(5-carbamoyl-1H-imidazol-4-yl)-propanoyl-amino]benzoate CAS Name: 4-[(5-carbamoyl-1H-imidazol-4-yl)-(1-oxopropyl)amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-carbamoyl-1H-imidazol-4-yl)-propanoylamino]benzoate Traditional Name: 4-[(5-carbamoyl-1H-imidazol-4-yl)-propionyl-amino]benzoic acid tert-butyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=C(C=C1)C(=O)OC(C)(C)C)C2=C(NC=N2)C(=O)N

Isomeric SMILES

CCC(=O)N(C1=CC=C(C=C1)C(=O)OC(C)(C)C)C2=C(NC=N2)C(=O)N

InChI

InChI=1S/C18H22N4O4/c1-5-13(23)22(16-14(15(19)24)20-10-21-16)12-8-6-11(7-9-12)17(25)26-18(2,3)4/h6-10H,5H2,1-4H3,(H2,19,24)(H,20,21)