2-[4-(3-butan-2-yl-4-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(3-butan-2-yl-4-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(4-benzyloxy-3-sec-butyl-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-(3-butan-2-yl-4-phenylmethoxyphenyl)-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(3-butan-2-yl-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(4-benzoxy-3-sec-butyl-phenyl)thiazol-2-yl]acetic acid Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)C2=CSC(=N2)CC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1)C2=CSC(=N2)CC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO3S/c1-3-15(2)18-11-17(19-14-27-21(23-19)12-22(24)25)9-10-20(18)26-13-16-7-5-4-6-8-16/h4-11,14-15H,3,12-13H2,1-2H3,(H,24,25)