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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-4-14-24-22(27)16(2)30-23(28)19-15-26(17-10-6-5-7-11-17)25-21(19)18-12-8-9-13-20(18)29-3/h5-13,15-16H,4,14H2,1-3H3,(H,24,27)/t16-/m0/s1