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

Systemtic Name: 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; 4-phenoxyaniline Openeye Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid; 4-phenoxyaniline CAS Name: 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid; 4-phenoxyaniline IUPAC Name: 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid; 4-phenoxyaniline Traditional Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid; (4-phenoxyphenyl)amine Formula: C32H34N2O4S MolecularWeight: 542.68836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.C1=CC=C(C=C1)OC2=CC=C(C=C2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.C1=CC=C(C=C1)OC2=CC=C(C=C2)N

InChI

InChI=1S/C20H23NO3S.C12H11NO/c1-13-8-9-16(17(12-13)15-7-5-4-6-14(15)2)19(22)21-18(20(23)24)10-11-25-3;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);1-9H,13H2