2-[[2-(2-methylphenyl)-4-[(4-phenoxyphenoxy)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(4-phenoxyphenoxy)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(4-phenoxyphenoxy)methyl]benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(4-phenoxyphenoxy)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(4-phenoxyphenoxy)methyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(4-phenoxyphenoxy)methyl]benzoyl]amino]butyric acid Formula: C32H31NO5S MolecularWeight: 541.65724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C32H31NO5S/c1-22-8-6-7-11-27(22)29-20-23(12-17-28(29)31(34)33-30(32(35)36)18-19-39-2)21-37-24-13-15-26(16-14-24)38-25-9-4-3-5-10-25/h3-17,20,30H,18-19,21H2,1-2H3,(H,33,34)(H,35,36)