5-tert-butyl-1-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]thiazol-2-yl]methyl]pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-2-thiazolyl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]thiazol-2-yl]methyl]pyrazole-3-carboxylic acid Formula: C32H39N3O3S MolecularWeight: 545.73536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=N3)CN4C(=CC(=N4)C(=O)O)C(C)(C)C

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=N3)CN4C(=CC(=N4)C(=O)O)C(C)(C)C

InChI

InChI=1S/C32H39N3O3S/c1-6-8-23(9-7-2)24-14-16-26(17-15-24)38-20-22-10-12-25(13-11-22)28-21-39-30(33-28)19-35-29(32(3,4)5)18-27(34-35)31(36)37/h10-18,21,23H,6-9,19-20H2,1-5H3,(H,36,37)