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

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-(acetamidomethyl)benzoate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic 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] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic 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(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

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