4-(2-cyanophenyl)-4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 4-(2-cyanophenyl)-4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 4-(2-cyanophenyl)-4-[2-cyano-5-(3-thienylmethoxy)phenoxy]butanoic acid CAS Name: 4-(2-cyanophenyl)-4-[2-cyano-5-(3-thiophenylmethoxy)phenoxy]butanoic acid IUPAC Name: 4-(2-cyanophenyl)-4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 4-(2-cyanophenyl)-4-[2-cyano-5-(3-thenyloxy)phenoxy]butyric acid Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N

InChI

InChI=1S/C23H18N2O4S/c24-12-17-3-1-2-4-20(17)21(7-8-23(26)27)29-22-11-19(6-5-18(22)13-25)28-14-16-9-10-30-15-16/h1-6,9-11,15,21H,7-8,14H2,(H,26,27)