[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl] ester Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O5/c1-30-19-10-11-22(31-2)20(13-19)21-9-6-12-26(21)23(28)16-32-24(29)17-14-25-27(15-17)18-7-4-3-5-8-18/h3-5,7-8,10-11,13-15,21H,6,9,12,16H2,1-2H3