1-[4-(2-butoxyphenyl)phenyl]-5-(2-morpholin-4-ylethoxy)pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-(2-butoxyphenyl)phenyl]-5-(2-morpholin-4-ylethoxy)pyrazole-4-carboxylic acid Openeye Name: 1-[4-(2-butoxyphenyl)phenyl]-5-(2-morpholinoethoxy)pyrazole-4-carboxylic acid CAS Name: 1-[4-(2-butoxyphenyl)phenyl]-5-[2-(4-morpholinyl)ethoxy]-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-(2-butoxyphenyl)phenyl]-5-(2-morpholin-4-ylethoxy)pyrazole-4-carboxylic acid Traditional Name: 1-[4-(2-butoxyphenyl)phenyl]-5-(2-morpholinoethoxy)pyrazole-4-carboxylic acid Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)O)OCCN4CCOCC4

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)O)OCCN4CCOCC4

InChI

InChI=1S/C26H31N3O5/c1-2-3-15-33-24-7-5-4-6-22(24)20-8-10-21(11-9-20)29-25(23(19-27-29)26(30)31)34-18-14-28-12-16-32-17-13-28/h4-11,19H,2-3,12-18H2,1H3,(H,30,31)