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

Systemtic Name: 3-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-4-methyl-1,3-thiazol-2-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)-4-methyl-thiazol-2-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-4-methyl-2-thiazolyl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-4-methyl-1,3-thiazol-2-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)-4-methyl-thiazol-2-yl]-3-methyl-phenyl]propionic acid Formula: C24H24N2O3S MolecularWeight: 420.52396

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3S/c1-14(2)29-21-9-7-18(12-19(21)13-25)23-16(4)26-24(30-23)20-8-5-17(11-15(20)3)6-10-22(27)28/h5,7-9,11-12,14H,6,10H2,1-4H3,(H,27,28)