2-acetamido-6-[[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-acetamido-6-[[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-acetamido-6-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-acetamido-6-[[[1-(1-hydroxy-1-oxooctan-2-yl)-4-imidazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-acetamido-6-[[1-(1-hydroxy-1-oxooctan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-acetamido-6-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]benzoic acid Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C)C(=O)O

InChI

InChI=1S/C21H26N4O6/c1-3-4-5-6-10-16(20(28)29)25-11-17(22-12-25)24-19(27)14-8-7-9-15(23-13(2)26)18(14)21(30)31/h7-9,11-12,16H,3-6,10H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)(H,30,31)