1-[4-(2,6-dimethylphenyl)phenyl]-5-(2-morpholin-4-ylethoxy)pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-(2,6-dimethylphenyl)phenyl]-5-(2-morpholin-4-ylethoxy)pyrazole-4-carboxylic acid Openeye Name: 1-[4-(2,6-dimethylphenyl)phenyl]-5-(2-morpholinoethoxy)pyrazole-4-carboxylic acid CAS Name: 1-[4-(2,6-dimethylphenyl)phenyl]-5-[2-(4-morpholinyl)ethoxy]-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-(2,6-dimethylphenyl)phenyl]-5-(2-morpholin-4-ylethoxy)pyrazole-4-carboxylic acid Traditional Name: 1-[4-(2,6-dimethylphenyl)phenyl]-5-(2-morpholinoethoxy)pyrazole-4-carboxylic acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)O)OCCN4CCOCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)O)OCCN4CCOCC4

InChI

InChI=1S/C24H27N3O4/c1-17-4-3-5-18(2)22(17)19-6-8-20(9-7-19)27-23(21(16-25-27)24(28)29)31-15-12-26-10-13-30-14-11-26/h3-9,16H,10-15H2,1-2H3,(H,28,29)