methyl 2-[[4-[(2-methylphenyl)methyl]piperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[(2-methylphenyl)methyl]piperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[4-(o-tolylmethyl)piperidine-4-carbonyl]amino]butanoate CAS Name: 2-[[[4-[(2-methylphenyl)methyl]-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(2-methylbenzyl)isonipecotoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCNCC2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CC2(CCNCC2)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C20H30N2O3S/c1-15-6-4-5-7-16(15)14-20(9-11-21-12-10-20)19(24)22-17(8-13-26-3)18(23)25-2/h4-7,17,21H,8-14H2,1-3H3,(H,22,24)