(2-azanyl-2-oxidanylidene-ethyl) 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H21N3O5/c1-27-17-9-8-15(10-18(17)28-2)20-16(21(26)29-13-19(22)25)12-24(23-20)11-14-6-4-3-5-7-14/h3-10,12H,11,13H2,1-2H3,(H2,22,25)