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

Systemtic Name: 3-[[5-aminocarbonyl-4-[(4-butylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid Openeye Name: 3-[[4-[(4-butylphenyl)carbamoylamino]-5-carbamoyl-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid CAS Name: 3-[[4-[[(4-butylanilino)-oxomethyl]amino]-5-carbamoyl-1H-imidazol-2-yl]methyl]-2-furancarboxylic acid IUPAC Name: 3-[[4-[(4-butylphenyl)carbamoylamino]-5-carbamoyl-1H-imidazol-2-yl]methyl]furan-2-carboxylic acid Traditional Name: 3-[[4-[(4-butylphenyl)carbamoylamino]-5-carbamoyl-1H-imidazol-2-yl]methyl]-2-furoic acid Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC2=C(NC(=N2)CC3=C(OC=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)NC2=C(NC(=N2)CC3=C(OC=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C21H23N5O5/c1-2-3-4-12-5-7-14(8-6-12)23-21(30)26-19-16(18(22)27)24-15(25-19)11-13-9-10-31-17(13)20(28)29/h5-10H,2-4,11H2,1H3,(H2,22,27)(H,24,25)(H,28,29)(H2,23,26,30)