3-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,3-thiazol-2-yl]-3-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,3-thiazol-2-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)thiazol-2-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-2-thiazolyl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)thiazol-2-yl]-3-methyl-phenyl]propionic acid Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)O)C2=NC=C(S2)C3=CC(=C(C=C3)OC(C)C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)O)C2=NC=C(S2)C3=CC(=C(C=C3)OC(C)C)C#N

InChI

InChI=1S/C23H22N2O3S/c1-14(2)28-20-8-6-17(11-18(20)12-24)21-13-25-23(29-21)19-7-4-16(10-15(19)3)5-9-22(26)27/h4,6-8,10-11,13-14H,5,9H2,1-3H3,(H,26,27)