2-[[5-(2-methylphenyl)-1-(4-phenoxybutyl)-3,6-dihydro-2H-pyridin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[5-(2-methylphenyl)-1-(4-phenoxybutyl)-3,6-dihydro-2H-pyridin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[5-(o-tolyl)-1-(4-phenoxybutyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]butanoic acid CAS Name: 2-[[[5-(2-methylphenyl)-1-(4-phenoxybutyl)-3,6-dihydro-2H-pyridin-4-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(2-methylphenyl)-1-(4-phenoxybutyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[5-(o-tolyl)-1-(4-phenoxybutyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]butyric acid Formula: C28H36N2O4S MolecularWeight: 496.66144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(CCN(C2)CCCCOC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(CCN(C2)CCCCOC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C28H36N2O4S/c1-21-10-6-7-13-23(21)25-20-30(16-8-9-18-34-22-11-4-3-5-12-22)17-14-24(25)27(31)29-26(28(32)33)15-19-35-2/h3-7,10-13,26H,8-9,14-20H2,1-2H3,(H,29,31)(H,32,33)