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

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2,2-dimethylpropanoate Openeye Name: [2-[3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic 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] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-keto-2-[5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethyl] ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C(=O)OCC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28N2O4/c1-27(2,3)26(31)33-17-25(30)29-24(19-11-13-22(32-4)14-12-19)16-23(28-29)21-10-9-18-7-5-6-8-20(18)15-21/h5-15,24H,16-17H2,1-4H3