[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c1-28-18-14-25(17-10-6-3-7-11-17)24-19(18)22(27)29-20(15-8-4-2-5-9-15)21(26)23-16-12-13-16/h2-11,14,16,20H,12-13H2,1H3,(H,23,26)/t20-/m0/s1