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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1C(CCCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N

InChI

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