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

Systemtic Name: 2-acetamido-6-[[1-(2-hexoxy-2-oxidanylidene-ethyl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-acetamido-6-[[1-(2-hexoxy-2-oxo-ethyl)imidazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-acetamido-6-[[[1-(2-hexoxy-2-oxoethyl)-4-imidazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-acetamido-6-[[1-(2-hexoxy-2-oxoethyl)imidazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-acetamido-6-[[1-(2-hexoxy-2-keto-ethyl)imidazol-4-yl]carbamoyl]benzoic acid Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CN1C=C(N=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C)C(=O)O

Isomeric SMILES

CCCCCCOC(=O)CN1C=C(N=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C)C(=O)O

InChI

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