ethyl 4-[[4-[(5-aminocarbonyl-4-oxidanyl-imidazol-1-yl)methyl]phenyl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(5-aminocarbonyl-4-oxidanyl-imidazol-1-yl)methyl]phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[4-[(5-carbamoyl-4-hydroxy-imidazol-1-yl)methyl]phenyl]carbamoylamino]benzoate CAS Name: 4-[[[4-[(5-carbamoyl-4-hydroxy-1-imidazolyl)methyl]anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(5-carbamoyl-4-hydroxyimidazol-1-yl)methyl]phenyl]carbamoylamino]benzoate Traditional Name: 4-[[4-[(5-carbamoyl-4-hydroxy-imidazol-1-yl)methyl]phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3C=NC(=C3C(=O)N)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3C=NC(=C3C(=O)N)O

InChI

InChI=1S/C21H21N5O5/c1-2-31-20(29)14-5-9-16(10-6-14)25-21(30)24-15-7-3-13(4-8-15)11-26-12-23-19(28)17(26)18(22)27/h3-10,12,28H,2,11H2,1H3,(H2,22,27)(H2,24,25,30)