[2-[(3S)-2-ethanoyl-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl] benzoate

Systemtic Name: [2-[(3S)-2-ethanoyl-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl] benzoate Openeye Name: [2-[(3S)-2-acetyl-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl] benzoate CAS Name: benzoic acid [2-[(3S)-2-acetyl-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl] ester IUPAC Name: [2-[(3S)-2-acetyl-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl] benzoate Traditional Name: benzoic acid [2-[(5S)-1-acetyl-5-(4-methoxyphenyl)-3-pyrazolin-3-yl]phenyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C=C(N1)C2=CC=CC=C2OC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)N1[C@@H](C=C(N1)C2=CC=CC=C2OC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H22N2O4/c1-17(28)27-23(18-12-14-20(30-2)15-13-18)16-22(26-27)21-10-6-7-11-24(21)31-25(29)19-8-4-3-5-9-19/h3-16,23,26H,1-2H3/t23-/m0/s1