[2-[(3S)-3-(4-acetyloxy-3-methoxy-phenyl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]-4-chloranyl-phenyl] ethanoate

Systemtic Name: [2-[(3S)-3-(4-acetyloxy-3-methoxy-phenyl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]-4-chloranyl-phenyl] ethanoate Openeye Name: [2-[(3S)-3-(4-acetoxy-3-methoxy-phenyl)-2-acetyl-3,4-dihydropyrazol-5-yl]-4-chloro-phenyl] acetate CAS Name: acetic acid [2-[(3S)-2-acetyl-3-(4-acetyloxy-3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-chlorophenyl] ester IUPAC Name: [2-[(3S)-2-acetyl-3-(4-acetyloxy-3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-chlorophenyl] acetate Traditional Name: acetic acid [2-[(5S)-5-(4-acetoxy-3-methoxy-phenyl)-1-acetyl-2-pyrazolin-3-yl]-4-chloro-phenyl] ester Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=C(C=CC(=C2)Cl)OC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC

Isomeric SMILES

CC(=O)N1[C@@H](CC(=N1)C2=C(C=CC(=C2)Cl)OC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC

InChI

InChI=1S/C22H21ClN2O6/c1-12(26)25-19(15-5-7-21(31-14(3)28)22(9-15)29-4)11-18(24-25)17-10-16(23)6-8-20(17)30-13(2)27/h5-10,19H,11H2,1-4H3/t19-/m0/s1