ethyl 3-[2-[4-ethoxy-1-(2-ethylphenyl)-4-oxidanylidene-butoxy]-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 3-[2-[4-ethoxy-1-(2-ethylphenyl)-4-oxidanylidene-butoxy]-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-[2-[4-ethoxy-1-(2-ethylphenyl)-4-oxo-butoxy]-4-(3-pyridylmethoxy)phenyl]-1H-pyrazole-5-carboxylate CAS Name: 3-[2-[4-ethoxy-1-(2-ethylphenyl)-4-oxobutoxy]-4-(3-pyridinylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-ethoxy-1-(2-ethylphenyl)-4-oxobutoxy]-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate Traditional Name: 3-[2-[4-ethoxy-1-(2-ethylphenyl)-4-keto-butoxy]-4-(3-pyridylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C32H35N3O6 MolecularWeight: 557.6368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(CCC(=O)OCC)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C4=NNC(=C4)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1C(CCC(=O)OCC)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C4=NNC(=C4)C(=O)OCC

InChI

InChI=1S/C32H35N3O6/c1-4-23-11-7-8-12-25(23)29(15-16-31(36)38-5-2)41-30-18-24(40-21-22-10-9-17-33-20-22)13-14-26(30)27-19-28(35-34-27)32(37)39-6-3/h7-14,17-20,29H,4-6,15-16,21H2,1-3H3,(H,34,35)