[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-[3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-keto-2-[5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethyl] ester Formula: C33H32N2O4 MolecularWeight: 520.61818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C33H32N2O4/c1-33(2,3)27-15-11-24(12-16-27)32(37)39-21-31(36)35-30(23-13-17-28(38-4)18-14-23)20-29(34-35)26-10-9-22-7-5-6-8-25(22)19-26/h5-19,30H,20-21H2,1-4H3