thiophen-2-yl 2-[3-(azepan-1-ylmethyl)piperidin-1-yl]propanoate

Systemtic Name: thiophen-2-yl 2-[3-(azepan-1-ylmethyl)piperidin-1-yl]propanoate Openeye Name: 2-thienyl 2-[3-(azepan-1-ylmethyl)-1-piperidyl]propanoate CAS Name: 2-[3-(1-azepanylmethyl)-1-piperidinyl]propanoic acid thiophen-2-yl ester IUPAC Name: thiophen-2-yl 2-[3-(azepan-1-ylmethyl)piperidin-1-yl]propanoate Traditional Name: 2-[3-(azepan-1-ylmethyl)piperidino]propionic acid 2-thienyl ester Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CS1)N2CCCC(C2)CN3CCCCCC3

Isomeric SMILES

CC(C(=O)OC1=CC=CS1)N2CCCC(C2)CN3CCCCCC3

InChI

InChI=1S/C19H30N2O2S/c1-16(19(22)23-18-9-7-13-24-18)21-12-6-8-17(15-21)14-20-10-4-2-3-5-11-20/h7,9,13,16-17H,2-6,8,10-12,14-15H2,1H3