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

Systemtic Name: 4-[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-8-methyl-4-oxidanyl-naphthalen-1-yl]sulfanylbutanoic acid Openeye Name: 4-[[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxy-8-methyl-1-naphthyl]sulfanyl]butanoic acid CAS Name: 4-[[3-[[3-(2,4-dimethylphenoxy)propylamino]-oxomethyl]-4-hydroxy-8-methyl-1-naphthalenyl]thio]butanoic acid IUPAC Name: 4-[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxy-8-methylnaphthalen-1-yl]sulfanylbutanoic acid Traditional Name: 4-[[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxy-8-methyl-1-naphthyl]thio]butyric acid Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO5S/c1-17-10-11-22(19(3)15-17)33-13-6-12-28-27(32)21-16-23(34-14-5-9-24(29)30)25-18(2)7-4-8-20(25)26(21)31/h4,7-8,10-11,15-16,31H,5-6,9,12-14H2,1-3H3,(H,28,32)(H,29,30)