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

Systemtic Name: 2-cyano-4-(2-methylphenyl)-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-cyano-4-(o-tolyl)-2-[3-(3-thienylmethoxy)phenoxy]butanoic acid CAS Name: 2-cyano-4-(2-methylphenyl)-2-[3-(3-thiophenylmethoxy)phenoxy]butanoic acid IUPAC Name: 2-cyano-4-(2-methylphenyl)-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 2-cyano-4-(o-tolyl)-2-[3-(3-thenyloxy)phenoxy]butyric acid Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C#N)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(C#N)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C23H21NO4S/c1-17-5-2-3-6-19(17)9-11-23(16-24,22(25)26)28-21-8-4-7-20(13-21)27-14-18-10-12-29-15-18/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,25,26)