2-[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylethanoic acid Openeye Name: 2-[[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxy-1-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[3-[[3-(2,4-dimethylphenoxy)propylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl]thio]acetic acid IUPAC Name: 2-[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxynaphthalen-1-yl]sulfanylacetic acid Traditional Name: 2-[[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxy-1-naphthyl]thio]acetic acid Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SCC(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SCC(=O)O)O)C

InChI

InChI=1S/C24H25NO5S/c1-15-8-9-20(16(2)12-15)30-11-5-10-25-24(29)19-13-21(31-14-22(26)27)17-6-3-4-7-18(17)23(19)28/h3-4,6-9,12-13,28H,5,10-11,14H2,1-2H3,(H,25,29)(H,26,27)