2-[1-[4-(4-cyanophenyl)-4-oxidanylidene-butanoyl]piperidin-4-yl]oxy-3,3-dimethyl-butanoate

Systemtic Name: 2-[1-[4-(4-cyanophenyl)-4-oxidanylidene-butanoyl]piperidin-4-yl]oxy-3,3-dimethyl-butanoate Openeye Name: 2-[[1-[4-(4-cyanophenyl)-4-oxo-butanoyl]-4-piperidyl]oxy]-3,3-dimethyl-butanoate CAS Name: 2-[[1-[4-(4-cyanophenyl)-1,4-dioxobutyl]-4-piperidinyl]oxy]-3,3-dimethylbutanoate IUPAC Name: 2-[1-[4-(4-cyanophenyl)-4-oxobutanoyl]piperidin-4-yl]oxy-3,3-dimethylbutanoate Traditional Name: 2-[[1-[4-(4-cyanophenyl)-4-keto-butanoyl]-4-piperidyl]oxy]-3,3-dimethyl-butyrate Formula: C22H27N2O5- MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-22(2,3)20(21(27)28)29-17-10-12-24(13-11-17)19(26)9-8-18(25)16-6-4-15(14-23)5-7-16/h4-7,17,20H,8-13H2,1-3H3,(H,27,28)/p-1