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

Systemtic Name: 2-[[1-(1-ethoxy-1-oxidanylidene-octan-2-yl)imidazol-4-yl]carbamoyl]-6-oxidanyl-benzoic acid Openeye Name: 2-[[1-(1-ethoxycarbonylheptyl)imidazol-4-yl]carbamoyl]-6-hydroxy-benzoic acid CAS Name: 2-[[[1-(1-ethoxy-1-oxooctan-2-yl)-4-imidazolyl]amino]-oxomethyl]-6-hydroxybenzoic acid IUPAC Name: 2-[[1-(1-ethoxy-1-oxooctan-2-yl)imidazol-4-yl]carbamoyl]-6-hydroxybenzoic acid Traditional Name: 2-[[1-(1-carbethoxyheptyl)imidazol-4-yl]carbamoyl]-6-hydroxy-benzoic acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-3-5-6-7-10-15(21(29)30-4-2)24-12-17(22-13-24)23-19(26)14-9-8-11-16(25)18(14)20(27)28/h8-9,11-13,15,25H,3-7,10H2,1-2H3,(H,23,26)(H,27,28)