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

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O5/c1-35-22-14-11-20(12-15-22)13-16-26(32)29-25-10-6-5-9-23(25)28(34)36-19-27(33)31-18-17-24(30-31)21-7-3-2-4-8-21/h2-12,14-15H,13,16-19H2,1H3,(H,29,32)