ethyl 3-[4-(2-butoxyphenyl)phenyl]-3-(2-morpholin-4-ylethoxy)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[4-(2-butoxyphenyl)phenyl]-3-(2-morpholin-4-ylethoxy)pyrazole-4-carboxylate Openeye Name: ethyl 3-[4-(2-butoxyphenyl)phenyl]-3-(2-morpholinoethoxy)pyrazole-4-carboxylate CAS Name: 3-[4-(2-butoxyphenyl)phenyl]-3-[2-(4-morpholinyl)ethoxy]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-butoxyphenyl)phenyl]-3-(2-morpholin-4-ylethoxy)pyrazole-4-carboxylate Traditional Name: 3-[4-(2-butoxyphenyl)phenyl]-3-(2-morpholinoethoxy)pyrazole-4-carboxylic acid ethyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=CC=C(C=C2)C3(C(=CN=N3)C(=O)OCC)OCCN4CCOCC4

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=CC=C(C=C2)C3(C(=CN=N3)C(=O)OCC)OCCN4CCOCC4

InChI

InChI=1S/C28H35N3O5/c1-3-5-17-35-26-9-7-6-8-24(26)22-10-12-23(13-11-22)28(25(21-29-30-28)27(32)34-4-2)36-20-16-31-14-18-33-19-15-31/h6-13,21H,3-5,14-20H2,1-2H3