(1R,2S)-2-[[3-(furan-2-ylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[[3-(furan-2-ylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[[3-(2-furylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[[3-[(2-furanylmethylamino)-oxomethyl]-1-methyl-4-pyrazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[[3-(2-furfurylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]cyclohexanecarboxylic acid Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)[C@H]3CCCC[C@H]3C(=O)O

InChI

InChI=1S/C18H22N4O5/c1-22-10-14(15(21-22)17(24)19-9-11-5-4-8-27-11)20-16(23)12-6-2-3-7-13(12)18(25)26/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3,(H,19,24)(H,20,23)(H,25,26)/t12-,13+/m0/s1