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

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O5/c1-19(29-27(33)22-11-7-4-8-12-22)28(34)36-18-26(32)31-25(21-13-15-23(35-2)16-14-21)17-24(30-31)20-9-5-3-6-10-20/h3-16,19,25H,17-18H2,1-2H3,(H,29,33)