1-[[2-(benzimidazol-1-yl)ethanoylamino]methyl]-2-[(E)-hydroxyiminomethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[2-(benzimidazol-1-yl)ethanoylamino]methyl]-2-[(E)-hydroxyiminomethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[[[2-(benzimidazol-1-yl)acetyl]amino]methyl]-2-[(E)-hydroxyiminomethyl]cyclohexanecarboxylic acid CAS Name: 1-[[[2-(1-benzimidazolyl)-1-oxoethyl]amino]methyl]-2-[(E)-hydroxyiminomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[[2-(benzimidazol-1-yl)acetyl]amino]methyl]-2-[(E)-hydroxyiminomethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[[[2-(benzimidazol-1-yl)acetyl]amino]methyl]-2-[(E)-hydroximinomethyl]cyclohexanecarboxylic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C=NO)(CNC(=O)CN2C=NC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCC(C(C1)/C=N/O)(CNC(=O)CN2C=NC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H22N4O4/c23-16(10-22-12-20-14-6-1-2-7-15(14)22)19-11-18(17(24)25)8-4-3-5-13(18)9-21-26/h1-2,6-7,9,12-13,26H,3-5,8,10-11H2,(H,19,23)(H,24,25)/b21-9+