(1S,2R)-2-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[2-(1H-benzimidazol-2-yl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexanecarboxylic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC2=NC3=CC=CC=C3N2)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCCC2=NC3=CC=CC=C3N2)C(=O)O

InChI

InChI=1S/C17H21N3O3/c21-16(11-5-1-2-6-12(11)17(22)23)18-10-9-15-19-13-7-3-4-8-14(13)20-15/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,18,21)(H,19,20)(H,22,23)/t11-,12+/m1/s1