[(3S,4S)-2-ethanoyl-3-(4-methoxyphenyl)-5-(2-phenylmethoxyphenyl)-3,4-dihydropyrazol-4-yl] ethanoate

Systemtic Name: [(3S,4S)-2-ethanoyl-3-(4-methoxyphenyl)-5-(2-phenylmethoxyphenyl)-3,4-dihydropyrazol-4-yl] ethanoate Openeye Name: [(3S,4S)-2-acetyl-5-(2-benzyloxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-4-yl] acetate CAS Name: acetic acid [(3S,4S)-2-acetyl-3-(4-methoxyphenyl)-5-(2-phenylmethoxyphenyl)-3,4-dihydropyrazol-4-yl] ester IUPAC Name: [(3S,4S)-2-acetyl-3-(4-methoxyphenyl)-5-(2-phenylmethoxyphenyl)-3,4-dihydropyrazol-4-yl] acetate Traditional Name: acetic acid [(4S,5S)-1-acetyl-3-(2-benzoxyphenyl)-5-(4-methoxyphenyl)-2-pyrazolin-4-yl] ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(C(=N1)C2=CC=CC=C2OCC3=CC=CC=C3)OC(=O)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)N1[C@H]([C@@H](C(=N1)C2=CC=CC=C2OCC3=CC=CC=C3)OC(=O)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H26N2O5/c1-18(30)29-26(21-13-15-22(32-3)16-14-21)27(34-19(2)31)25(28-29)23-11-7-8-12-24(23)33-17-20-9-5-4-6-10-20/h4-16,26-27H,17H2,1-3H3/t26-,27+/m0/s1