3-[4-oxidanyl-3-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[4-oxidanyl-3-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[4-hydroxy-3-[(2-tetradecoxyphenyl)carbamoyl]-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[4-hydroxy-3-[oxo-(2-tetradecoxyanilino)methyl]-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[4-hydroxy-3-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-hydroxy-3-[(2-myristyloxyphenyl)carbamoyl]-1-naphthyl]thio]propionic acid Formula: C34H45NO5S MolecularWeight: 579.7898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)SCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)SCCC(=O)O)O

InChI

InChI=1S/C34H45NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-17-23-40-30-21-16-15-20-29(30)35-34(39)28-25-31(41-24-22-32(36)37)26-18-13-14-19-27(26)33(28)38/h13-16,18-21,25,38H,2-12,17,22-24H2,1H3,(H,35,39)(H,36,37)