2-cyano-5-(2-methylphenyl)-2-[3-(thiophen-3-ylmethoxy)phenoxy]pentanoic acid

Systemtic Name: 2-cyano-5-(2-methylphenyl)-2-[3-(thiophen-3-ylmethoxy)phenoxy]pentanoic acid Openeye Name: 2-cyano-5-(o-tolyl)-2-[3-(3-thienylmethoxy)phenoxy]pentanoic acid CAS Name: 2-cyano-5-(2-methylphenyl)-2-[3-(3-thiophenylmethoxy)phenoxy]pentanoic acid IUPAC Name: 2-cyano-5-(2-methylphenyl)-2-[3-(thiophen-3-ylmethoxy)phenoxy]pentanoic acid Traditional Name: 2-cyano-5-(o-tolyl)-2-[3-(3-thenyloxy)phenoxy]valeric acid Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCC(C#N)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CCCC(C#N)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C24H23NO4S/c1-18-6-2-3-7-20(18)8-5-12-24(17-25,23(26)27)29-22-10-4-9-21(14-22)28-15-19-11-13-30-16-19/h2-4,6-7,9-11,13-14,16H,5,8,12,15H2,1H3,(H,26,27)