[2-[[2-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[[2-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-keto-2-[2-[(1R)-1-methylpropyl]anilino]ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC[C@@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C25H27N3O3/c1-3-17(2)20-11-7-8-12-21(20)26-24(29)16-31-25(30)23-15-22(18-13-14-18)27-28(23)19-9-5-4-6-10-19/h4-12,15,17-18H,3,13-14,16H2,1-2H3,(H,26,29)/t17-/m1/s1