3-[[(1S,2R,4S)-4-methyl-2-oxidanyl-cyclohexyl]carbonyl-propan-2-yl-amino]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[[(1S,2R,4S)-4-methyl-2-oxidanyl-cyclohexyl]carbonyl-propan-2-yl-amino]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-[[(1S,2R,4S)-2-hydroxy-4-methyl-cyclohexanecarbonyl]-isopropyl-amino]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-[[[(1S,2R,4S)-2-hydroxy-4-methylcyclohexyl]-oxomethyl]-propan-2-ylamino]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[[(1S,2R,4S)-2-hydroxy-4-methylcyclohexanecarbonyl]-propan-2-ylamino]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-[[(1S,2R,4S)-2-hydroxy-4-methyl-cyclohexanecarbonyl]-isopropyl-amino]-1-phenyl-pyrazole-4-carboxylic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)O)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@@H](C1)O)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H27N3O4/c1-13(2)24(20(26)16-10-9-14(3)11-18(16)25)19-17(21(27)28)12-23(22-19)15-7-5-4-6-8-15/h4-8,12-14,16,18,25H,9-11H2,1-3H3,(H,27,28)/t14-,16-,18+/m0/s1