3-[[5-aminocarbonyl-4-[(4-pentylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 3-[[5-aminocarbonyl-4-[(4-pentylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid Openeye Name: 3-[[5-carbamoyl-4-[(4-pentylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid CAS Name: 3-[[5-carbamoyl-4-[[oxo-(4-pentylanilino)methyl]amino]-1H-imidazol-2-yl]methyl]-2-furancarboxylic acid IUPAC Name: 3-[[5-carbamoyl-4-[(4-pentylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid Traditional Name: 3-[[4-[(4-amylphenyl)carbamoylamino]-5-carbamoyl-1H-imidazol-2-yl]methyl]-2-furoic acid Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)NC2=C(NC(=N2)CC3=C(OC=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)NC2=C(NC(=N2)CC3=C(OC=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C22H25N5O5/c1-2-3-4-5-13-6-8-15(9-7-13)24-22(31)27-20-17(19(23)28)25-16(26-20)12-14-10-11-32-18(14)21(29)30/h6-11H,2-5,12H2,1H3,(H2,23,28)(H,25,26)(H,29,30)(H2,24,27,31)