methyl 2-[[5-chloranyl-2-(1-ethanoylpiperidin-4-yl)oxy-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[5-chloranyl-2-(1-ethanoylpiperidin-4-yl)oxy-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[(1-acetyl-4-piperidyl)oxy]-5-chloro-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-[(1-acetyl-4-piperidinyl)oxy]-5-chlorophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-acetylpiperidin-4-yl)oxy-5-chlorobenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(1-acetyl-4-piperidyl)oxy]-5-chloro-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)Cl)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)Cl)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C20H27ClN2O5S/c1-13(24)23-9-6-15(7-10-23)28-18-5-4-14(21)12-16(18)19(25)22-17(8-11-29-3)20(26)27-2/h4-5,12,15,17H,6-11H2,1-3H3,(H,22,25)