2-[3-[4-(2,4-dipentylphenoxy)butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-[4-(2,4-dipentylphenoxy)butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylethanoic acid Openeye Name: 2-[[3-[4-(2,4-dipentylphenoxy)butylcarbamoyl]-4-hydroxy-1-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[3-[[4-(2,4-dipentylphenoxy)butylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl]thio]acetic acid IUPAC Name: 2-[3-[4-(2,4-dipentylphenoxy)butylcarbamoyl]-4-hydroxynaphthalen-1-yl]sulfanylacetic acid Traditional Name: 2-[[3-[4-(2,4-diamylphenoxy)butylcarbamoyl]-4-hydroxy-1-naphthyl]thio]acetic acid Formula: C33H43NO5S MolecularWeight: 565.76322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H43NO5S/c1-3-5-7-13-24-17-18-29(25(21-24)14-8-6-4-2)39-20-12-11-19-34-33(38)28-22-30(40-23-31(35)36)26-15-9-10-16-27(26)32(28)37/h9-10,15-18,21-22,37H,3-8,11-14,19-20,23H2,1-2H3,(H,34,38)(H,35,36)