(2S)-2-(phenylmethoxycarbonylamino)-3-[4-(3-piperidin-4-ylpropoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-(3-piperidin-4-ylpropoxy)phenyl]propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-[3-(4-piperidyl)propoxy]phenyl]propanoic acid CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-[3-(4-piperidinyl)propoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-(3-piperidin-4-ylpropoxy)phenyl]propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-[3-(4-piperidyl)propoxy]phenyl]propionic acid Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCOC2=CC=C(C=C2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CNCCC1CCCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O5/c28-24(29)23(27-25(30)32-18-21-5-2-1-3-6-21)17-20-8-10-22(11-9-20)31-16-4-7-19-12-14-26-15-13-19/h1-3,5-6,8-11,19,23,26H,4,7,12-18H2,(H,27,30)(H,28,29)/t23-/m0/s1