2-[1-[4-(4-cyanophenyl)-3-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxybutanoic acid

Systemtic Name: 2-[1-[4-(4-cyanophenyl)-3-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxybutanoic acid Openeye Name: 2-[[1-[4-(4-cyanophenyl)-3-methyl-4-oxo-butanoyl]-4-piperidyl]oxy]butanoic acid CAS Name: 2-[[1-[4-(4-cyanophenyl)-3-methyl-1,4-dioxobutyl]-4-piperidinyl]oxy]butanoic acid IUPAC Name: 2-[1-[4-(4-cyanophenyl)-3-methyl-4-oxobutanoyl]piperidin-4-yl]oxybutanoic acid Traditional Name: 2-[[1-[4-(4-cyanophenyl)-4-keto-3-methyl-butanoyl]-4-piperidyl]oxy]butyric acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1CCN(CC1)C(=O)CC(C)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(C(=O)O)OC1CCN(CC1)C(=O)CC(C)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H26N2O5/c1-3-18(21(26)27)28-17-8-10-23(11-9-17)19(24)12-14(2)20(25)16-6-4-15(13-22)5-7-16/h4-7,14,17-18H,3,8-12H2,1-2H3,(H,26,27)