2-methyl-2-[4-[(5-phenyl-2-propyl-pyrazol-3-yl)methoxycarbonyl]phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-[4-[(5-phenyl-2-propyl-pyrazol-3-yl)methoxycarbonyl]phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[4-[(5-phenyl-2-propyl-pyrazol-3-yl)methoxycarbonyl]phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[4-[oxo-[(5-phenyl-2-propyl-3-pyrazolyl)methoxy]methyl]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[4-[(5-phenyl-2-propylpyrazol-3-yl)methoxycarbonyl]phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-2-[[4-[(5-phenyl-2-propyl-pyrazol-3-yl)methoxycarbonyl]phenyl]thio]propionic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=N1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)SC(C)(C)C(=O)O

Isomeric SMILES

CCCN1C(=CC(=N1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)SC(C)(C)C(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-4-14-26-19(15-21(25-26)17-8-6-5-7-9-17)16-30-22(27)18-10-12-20(13-11-18)31-24(2,3)23(28)29/h5-13,15H,4,14,16H2,1-3H3,(H,28,29)