2-oxidanylidenepropyl 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: acetonyl 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid acetonyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-15(25)14-29-22(26)18-13-24(12-16-7-5-4-6-8-16)23-21(18)17-9-10-19(27-2)20(11-17)28-3/h4-11,13H,12,14H2,1-3H3