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

Systemtic Name: 3-[3-[4-(2,4-dipentylphenoxy)butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[3-[4-(2,4-dipentylphenoxy)butylcarbamoyl]-4-hydroxy-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[3-[[4-(2,4-dipentylphenoxy)butylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[3-[4-(2,4-dipentylphenoxy)butylcarbamoyl]-4-hydroxynaphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[3-[4-(2,4-diamylphenoxy)butylcarbamoyl]-4-hydroxy-1-naphthyl]thio]propionic acid Formula: C34H45NO5S MolecularWeight: 579.7898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H45NO5S/c1-3-5-7-13-25-17-18-30(26(23-25)14-8-6-4-2)40-21-12-11-20-35-34(39)29-24-31(41-22-19-32(36)37)27-15-9-10-16-28(27)33(29)38/h9-10,15-18,23-24,38H,3-8,11-14,19-22H2,1-2H3,(H,35,39)(H,36,37)