3-[[5-aminocarbonyl-4-[(4-tert-butylphenyl)carbonylamino]-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 3-[[5-aminocarbonyl-4-[(4-tert-butylphenyl)carbonylamino]-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid Openeye Name: 3-[[4-[(4-tert-butylbenzoyl)amino]-5-carbamoyl-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid CAS Name: 3-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]-5-carbamoyl-1H-imidazol-2-yl]methyl]-2-furancarboxylic acid IUPAC Name: 3-[[4-[(4-tert-butylbenzoyl)amino]-5-carbamoyl-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid Traditional Name: 3-[[4-[(4-tert-butylbenzoyl)amino]-5-carbamoyl-1H-imidazol-2-yl]methyl]-2-furoic acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(NC(=N2)CC3=C(OC=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(NC(=N2)CC3=C(OC=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C21H22N4O5/c1-21(2,3)13-6-4-11(5-7-13)19(27)25-18-15(17(22)26)23-14(24-18)10-12-8-9-30-16(12)20(28)29/h4-9H,10H2,1-3H3,(H2,22,26)(H,23,24)(H,25,27)(H,28,29)