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

Systemtic Name: 5-(2-morpholin-4-ylethoxy)-1-[4-(2-octoxyphenyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-(2-morpholinoethoxy)-1-[4-(2-octoxyphenyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-[2-(4-morpholinyl)ethoxy]-1-[4-(2-octoxyphenyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-(2-morpholin-4-ylethoxy)-1-[4-(2-octoxyphenyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-(2-morpholinoethoxy)-1-[4-(2-octoxyphenyl)phenyl]pyrazole-4-carboxylic acid Formula: C30H39N3O5 MolecularWeight: 521.64776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O5/c1-2-3-4-5-6-9-19-37-28-11-8-7-10-26(28)24-12-14-25(15-13-24)33-29(27(23-31-33)30(34)35)38-22-18-32-16-20-36-21-17-32/h7-8,10-15,23H,2-6,9,16-22H2,1H3,(H,34,35)