2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; 4-piperidin-1-ylaniline

Systemtic Name: 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; 4-piperidin-1-ylaniline Openeye Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid; 4-(1-piperidyl)aniline CAS Name: 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid; 4-(1-piperidinyl)aniline IUPAC Name: 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid; 4-piperidin-1-ylaniline Traditional Name: 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid; (4-piperidinophenyl)amine Formula: C31H39N3O3S MolecularWeight: 533.72466

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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.C1CCN(CC1)C2=CC=C(C=C2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.C1CCN(CC1)C2=CC=C(C=C2)N

InChI

InChI=1S/C20H23NO3S.C11H16N2/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;12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);4-7H,1-3,8-9,12H2