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

Systemtic Name: 3-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)thiophen-2-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)-2-thienyl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-2-thiophenyl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)thiophen-2-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)-2-thienyl]-3-methyl-phenyl]propionic acid Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO3S/c1-15(2)28-21-8-6-18(13-19(21)14-25)22-9-10-23(29-22)20-7-4-17(12-16(20)3)5-11-24(26)27/h4,6-10,12-13,15H,5,11H2,1-3H3,(H,26,27)