2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; 2-(3-phenylpropyl)aniline

Systemtic Name: 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; 2-(3-phenylpropyl)aniline Openeye Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid; 2-(3-phenylpropyl)aniline CAS Name: 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid; 2-(3-phenylpropyl)aniline IUPAC Name: 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid; 2-(3-phenylpropyl)aniline Traditional Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid; [2-(3-phenylpropyl)phenyl]amine Formula: C35H40N2O3S MolecularWeight: 568.7687

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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)CCCC2=CC=CC=C2N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.C1=CC=C(C=C1)CCCC2=CC=CC=C2N

InChI

InChI=1S/C20H23NO3S.C15H17N/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;16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);1-5,7-8,10,12H,6,9,11,16H2