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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=O)COC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)COC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4/c1-30-21-14-12-19(13-15-21)23-16-22(18-8-4-2-5-9-18)26-27(23)24(28)17-31-25(29)20-10-6-3-7-11-20/h2-16,23,26H,17H2,1H3/t23-/m0/s1