methyl 2-[[2-(2-methylphenyl)-4-[(2-piperidin-1-ylethylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(2-methylphenyl)-4-[(2-piperidin-1-ylethylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[[2-(1-piperidyl)ethylamino]methyl]benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-[[2-(1-piperidinyl)ethylamino]methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)-4-[(2-piperidin-1-ylethylamino)methyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(2-piperidinoethylamino)methyl]benzoyl]amino]butyric acid methyl ester Formula: C28H39N3O3S MolecularWeight: 497.69256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CNCCN3CCCCC3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CNCCN3CCCCC3)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C28H39N3O3S/c1-21-9-5-6-10-23(21)25-19-22(20-29-14-17-31-15-7-4-8-16-31)11-12-24(25)27(32)30-26(13-18-35-3)28(33)34-2/h5-6,9-12,19,26,29H,4,7-8,13-18,20H2,1-3H3,(H,30,32)