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

Systemtic Name: [2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Cl)NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)Cl)NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O4/c1-14(15-7-6-8-16(22)11-15)23-19(26)13-29-21(27)20-18(28-2)12-25(24-20)17-9-4-3-5-10-17/h3-12,14H,13H2,1-2H3,(H,23,26)/t14-/m0/s1