2-[[2-(2-methylphenyl)-3-(4-phenoxybutoxy)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-3-(4-phenoxybutoxy)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-3-(4-phenoxybutoxy)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-3-(4-phenoxybutoxy)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-3-(4-phenoxybutoxy)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-3-(4-phenoxybutoxy)benzoyl]amino]butyric acid Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC=C2OCCCCOC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC=C2OCCCCOC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C29H33NO5S/c1-21-11-6-7-14-23(21)27-24(28(31)30-25(29(32)33)17-20-36-2)15-10-16-26(27)35-19-9-8-18-34-22-12-4-3-5-13-22/h3-7,10-16,25H,8-9,17-20H2,1-2H3,(H,30,31)(H,32,33)