4-[4-[(2-methylsulfanylphenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-[(2-methylsulfanylphenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[(2-methylsulfanylphenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[[2-(methylthio)phenoxy]methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(2-methylsulfanylphenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[[2-(methylthio)phenoxy]methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C31H31NO4S MolecularWeight: 513.64714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=CC=C4SC)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=CC=C4SC)CCCC(=O)O

InChI

InChI=1S/C31H31NO4S/c1-21(25-13-7-10-23-9-3-4-12-26(23)25)31(35)32-27-19-22(17-18-24(27)11-8-16-30(33)34)20-36-28-14-5-6-15-29(28)37-2/h3-7,9-10,12-15,17-19,21H,8,11,16,20H2,1-2H3,(H,32,35)(H,33,34)