3-[3-[1-(2,4-dimethylphenoxy)propylcarbamoyl]-8-methyl-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[3-[1-(2,4-dimethylphenoxy)propylcarbamoyl]-8-methyl-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[3-[1-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxy-8-methyl-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[3-[[1-(2,4-dimethylphenoxy)propylamino]-oxomethyl]-4-hydroxy-8-methyl-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[3-[1-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxy-8-methylnaphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[3-[1-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxy-8-methyl-1-naphthyl]thio]propionic acid Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C1=CC(=C2C(=CC=CC2=C1O)C)SCCC(=O)O)OC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC(NC(=O)C1=CC(=C2C(=CC=CC2=C1O)C)SCCC(=O)O)OC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C26H29NO5S/c1-5-22(32-20-10-9-15(2)13-17(20)4)27-26(31)19-14-21(33-12-11-23(28)29)24-16(3)7-6-8-18(24)25(19)30/h6-10,13-14,22,30H,5,11-12H2,1-4H3,(H,27,31)(H,28,29)