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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SCCC(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SCCC(=O)O)O)C

InChI

InChI=1S/C26H29NO5S/c1-17-9-10-22(18(2)15-17)32-13-6-5-12-27-26(31)21-16-23(33-14-11-24(28)29)19-7-3-4-8-20(19)25(21)30/h3-4,7-10,15-16,30H,5-6,11-14H2,1-2H3,(H,27,31)(H,28,29)