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

Systemtic Name: 5-methyl-2-[[1-(1-oxidanyl-1-oxidanylidene-octan-2-yl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]-5-methyl-benzoic acid CAS Name: 2-[[[1-(1-hydroxy-1-oxooctan-2-yl)-4-imidazolyl]amino]-oxomethyl]-5-methylbenzoic acid IUPAC Name: 2-[[1-(1-hydroxy-1-oxooctan-2-yl)imidazol-4-yl]carbamoyl]-5-methylbenzoic acid Traditional Name: 2-[[1-(1-carboxyheptyl)imidazol-4-yl]carbamoyl]-5-methyl-benzoic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-3-4-5-6-7-16(20(27)28)23-11-17(21-12-23)22-18(24)14-9-8-13(2)10-15(14)19(25)26/h8-12,16H,3-7H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)