2-[3-[4-(4-methyl-2-pentyl-phenoxy)butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-[4-(4-methyl-2-pentyl-phenoxy)butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylethanoic acid Openeye Name: 2-[[4-hydroxy-3-[4-(4-methyl-2-pentyl-phenoxy)butylcarbamoyl]-1-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[4-hydroxy-3-[[4-(4-methyl-2-pentylphenoxy)butylamino]-oxomethyl]-1-naphthalenyl]thio]acetic acid IUPAC Name: 2-[4-hydroxy-3-[4-(4-methyl-2-pentylphenoxy)butylcarbamoyl]naphthalen-1-yl]sulfanylacetic acid Traditional Name: 2-[[3-[4-(2-amyl-4-methyl-phenoxy)butylcarbamoyl]-4-hydroxy-1-naphthyl]thio]acetic acid Formula: C29H35NO5S MolecularWeight: 509.6569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)C)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SCC(=O)O)O

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)C)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SCC(=O)O)O

InChI

InChI=1S/C29H35NO5S/c1-3-4-5-10-21-17-20(2)13-14-25(21)35-16-9-8-15-30-29(34)24-18-26(36-19-27(31)32)22-11-6-7-12-23(22)28(24)33/h6-7,11-14,17-18,33H,3-5,8-10,15-16,19H2,1-2H3,(H,30,34)(H,31,32)