3-[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-hydroxy-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[3-[(2-dodecoxy-5-methylanilino)-oxomethyl]-4-hydroxy-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[3-[(2-dodecoxy-5-methylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-hydroxy-3-[(2-lauryloxy-5-methyl-phenyl)carbamoyl]-1-naphthyl]thio]propionic acid Formula: C33H43NO5S MolecularWeight: 565.76322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SCCC(=O)O)O

InChI

InChI=1S/C33H43NO5S/c1-3-4-5-6-7-8-9-10-11-14-20-39-29-18-17-24(2)22-28(29)34-33(38)27-23-30(40-21-19-31(35)36)25-15-12-13-16-26(25)32(27)37/h12-13,15-18,22-23,37H,3-11,14,19-21H2,1-2H3,(H,34,38)(H,35,36)