1-[2-[[4-(1-methylimidazol-2-yl)carbonylphenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[[4-(1-methylimidazol-2-yl)carbonylphenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-[4-(1-methylimidazole-2-carbonyl)anilino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[4-[(1-methyl-2-imidazolyl)-oxomethyl]anilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-[4-(1-methylimidazole-2-carbonyl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[4-(1-methylimidazole-2-carbonyl)anilino]ethyl]cyclohexanecarboxylic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)CC3(CCCCC3)C(=O)O

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)CC3(CCCCC3)C(=O)O

InChI

InChI=1S/C20H23N3O4/c1-23-12-11-21-18(23)17(25)14-5-7-15(8-6-14)22-16(24)13-20(19(26)27)9-3-2-4-10-20/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,22,24)(H,26,27)