2-[2-oxidanylidene-2-[4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybutylamino]ethyl]sulfanylethyl propanoate

Systemtic Name: 2-[2-oxidanylidene-2-[4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybutylamino]ethyl]sulfanylethyl propanoate Openeye Name: 2-[2-oxo-2-[4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]butylamino]ethyl]sulfanylethyl propanoate CAS Name: propanoic acid 2-[[2-oxo-2-[4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]butylamino]ethyl]thio]ethyl ester IUPAC Name: 2-[2-oxo-2-[4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybutylamino]ethyl]sulfanylethyl propanoate Traditional Name: propionic acid 2-[[2-keto-2-[4-[[4-(piperidinomethyl)-2-pyridyl]oxy]butylamino]ethyl]thio]ethyl ester Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCSCC(=O)NCCCCOC1=NC=CC(=C1)CN2CCCCC2

Isomeric SMILES

CCC(=O)OCCSCC(=O)NCCCCOC1=NC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C22H35N3O4S/c1-2-22(27)29-14-15-30-18-20(26)23-9-4-7-13-28-21-16-19(8-10-24-21)17-25-11-5-3-6-12-25/h8,10,16H,2-7,9,11-15,17-18H2,1H3,(H,23,26)