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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=C3C(=CC=CC3=C2O)C)SCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=C3C(=CC=CC3=C2O)C)SCCC(=O)O)C

InChI

InChI=1S/C26H29NO5S/c1-16-8-9-21(18(3)14-16)32-12-5-11-27-26(31)20-15-22(33-13-10-23(28)29)24-17(2)6-4-7-19(24)25(20)30/h4,6-9,14-15,30H,5,10-13H2,1-3H3,(H,27,31)(H,28,29)