[2-(methylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)COC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5/c1-23-20(26)14-30-22(27)17-13-25(12-15-7-5-4-6-8-15)24-21(17)16-9-10-18(28-2)19(11-16)29-3/h4-11,13H,12,14H2,1-3H3,(H,23,26)