ethyl 5-(2-morpholin-4-ylethoxy)-1-[4-(2-octoxyphenyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(2-morpholin-4-ylethoxy)-1-[4-(2-octoxyphenyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-(2-morpholinoethoxy)-1-[4-(2-octoxyphenyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-[2-(4-morpholinyl)ethoxy]-1-[4-(2-octoxyphenyl)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-morpholin-4-ylethoxy)-1-[4-(2-octoxyphenyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-(2-morpholinoethoxy)-1-[4-(2-octoxyphenyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C32H43N3O5 MolecularWeight: 549.70092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)OCCN4CCOCC4

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OCC)OCCN4CCOCC4

InChI

InChI=1S/C32H43N3O5/c1-3-5-6-7-8-11-21-39-30-13-10-9-12-28(30)26-14-16-27(17-15-26)35-31(29(25-33-35)32(36)38-4-2)40-24-20-34-18-22-37-23-19-34/h9-10,12-17,25H,3-8,11,18-24H2,1-2H3