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

Systemtic Name: 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; 2-phenethylaniline Openeye Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid; 2-phenethylaniline CAS Name: 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid; 2-phenethylaniline IUPAC Name: 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid; 2-phenethylaniline Traditional Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid; (2-phenethylphenyl)amine Formula: C34H38N2O3S MolecularWeight: 554.74212

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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)CCC2=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)CCC2=CC=CC=C2N

InChI

InChI=1S/C20H23NO3S.C14H15N/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;15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);1-9H,10-11,15H2