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

Systemtic Name: 4-[4-(methylsulfanylmethyl)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-(methylsulfanylmethyl)-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[(methylthio)methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-(methylsulfanylmethyl)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[(methylthio)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3S/c1-17(21-11-5-8-19-7-3-4-10-22(19)21)25(29)26-23-15-18(16-30-2)13-14-20(23)9-6-12-24(27)28/h3-5,7-8,10-11,13-15,17H,6,9,12,16H2,1-2H3,(H,26,29)(H,27,28)