[(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-keto-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-4-15(2)18-12-8-9-13-19(18)24-22(27)16(3)29-23(28)21-14-20(25-26-21)17-10-6-5-7-11-17/h5-16H,4H2,1-3H3,(H,24,27)(H,25,26)/t15-,16-/m0/s1