2-(phenylmethoxycarbonylamino)-3-[5-(5-piperidin-4-ylpentyl)thiophen-2-yl]propanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-[5-(5-piperidin-4-ylpentyl)thiophen-2-yl]propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[5-[5-(4-piperidyl)pentyl]-2-thienyl]propanoic acid CAS Name: 2-(phenylmethoxycarbonylamino)-3-[5-[5-(4-piperidinyl)pentyl]-2-thiophenyl]propanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-[5-(5-piperidin-4-ylpentyl)thiophen-2-yl]propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[5-[5-(4-piperidyl)pentyl]-2-thienyl]propionic acid Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCCC2=CC=C(S2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CNCCC1CCCCCC2=CC=C(S2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O4S/c28-24(29)23(27-25(30)31-18-20-8-4-1-5-9-20)17-22-12-11-21(32-22)10-6-2-3-7-19-13-15-26-16-14-19/h1,4-5,8-9,11-12,19,23,26H,2-3,6-7,10,13-18H2,(H,27,30)(H,28,29)