[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4/c1-16(2)14-25-23(28)17(3)31-24(29)20-15-27(18-10-6-5-7-11-18)26-22(20)19-12-8-9-13-21(19)30-4/h5-13,15-17H,14H2,1-4H3,(H,25,28)/t17-/m0/s1