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

Systemtic Name: 3-[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-8-methanoyl-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-8-formyl-4-hydroxy-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[3-[[3-(2,4-dimethylphenoxy)propylamino]-oxomethyl]-8-formyl-4-hydroxy-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-8-formyl-4-hydroxynaphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-8-formyl-4-hydroxy-1-naphthyl]thio]propionic acid Formula: C26H27NO6S MolecularWeight: 481.56068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO6S/c1-16-7-8-21(17(2)13-16)33-11-4-10-27-26(32)20-14-22(34-12-9-23(29)30)24-18(15-28)5-3-6-19(24)25(20)31/h3,5-8,13-15,31H,4,9-12H2,1-2H3,(H,27,32)(H,29,30)