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

Systemtic Name: 3-[3-[3-(2,4-dipentylphenoxy)propylcarbamoyl]-8-methanoyl-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[3-[3-(2,4-dipentylphenoxy)propylcarbamoyl]-8-formyl-4-hydroxy-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[3-[[3-(2,4-dipentylphenoxy)propylamino]-oxomethyl]-8-formyl-4-hydroxy-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[3-[3-(2,4-dipentylphenoxy)propylcarbamoyl]-8-formyl-4-hydroxynaphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[3-[3-(2,4-diamylphenoxy)propylcarbamoyl]-8-formyl-4-hydroxy-1-naphthyl]thio]propionic acid Formula: C34H43NO6S MolecularWeight: 593.77332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=C3C(=C2O)C=CC=C3C=O)SCCC(=O)O)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCCNC(=O)C2=CC(=C3C(=C2O)C=CC=C3C=O)SCCC(=O)O)CCCCC

InChI

InChI=1S/C34H43NO6S/c1-3-5-7-11-24-15-16-29(25(21-24)12-8-6-4-2)41-19-10-18-35-34(40)28-22-30(42-20-17-31(37)38)32-26(23-36)13-9-14-27(32)33(28)39/h9,13-16,21-23,39H,3-8,10-12,17-20H2,1-2H3,(H,35,40)(H,37,38)