ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-2-piperidin-1-yl-propanoate

Systemtic Name: ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-2-piperidin-1-yl-propanoate Openeye Name: ethyl 3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-2-(1-piperidyl)propanoate CAS Name: 3-[5-(1-azepanylmethyl)-2-thiophenyl]-3-hydroxy-2-(1-piperidinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-hydroxy-2-piperidin-1-ylpropanoate Traditional Name: 3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-2-piperidino-propionic acid ethyl ester Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)N3CCCCC3

InChI

InChI=1S/C21H34N2O3S/c1-2-26-21(25)19(23-14-8-5-9-15-23)20(24)18-11-10-17(27-18)16-22-12-6-3-4-7-13-22/h10-11,19-20,24H,2-9,12-16H2,1H3