(1-methoxy-1-oxidanylidene-butan-2-yl) 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: (1-methoxy-1-oxidanylidene-butan-2-yl) 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: 1-methoxycarbonylpropyl 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxylic acid (1-methoxy-1-oxobutan-2-yl) ester IUPAC Name: (1-methoxy-1-oxobutan-2-yl) 1-benzyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylic acid 1-carbomethoxypropyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-3-18(21(26)27-2)28-20(25)17-14-24(13-15-8-5-4-6-9-15)23-19(17)16-10-7-11-22-12-16/h4-12,14,18H,3,13H2,1-2H3