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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CS1)CCCCCC2CCNCC2)(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=C(C=CS1)CCCCCC2CCNCC2)(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O4S/c1-25(23(28)29,27-24(30)31-18-20-9-5-2-6-10-20)22-21(14-17-32-22)11-7-3-4-8-19-12-15-26-16-13-19/h2,5-6,9-10,14,17,19,26H,3-4,7-8,11-13,15-16,18H2,1H3,(H,27,30)(H,28,29)