2-[(1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(1-methyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(1-methyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]cyclohexanecarboxylic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N1C2=CC=CC=C2)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CN1C=C(C(=O)N1C2=CC=CC=C2)NC(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C18H21N3O4/c1-20-11-15(17(23)21(20)12-7-3-2-4-8-12)19-16(22)13-9-5-6-10-14(13)18(24)25/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,19,22)(H,24,25)