3-[4-(5-bromanylpentoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[4-(5-bromanylpentoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[4-(5-bromopentoxy)phenyl]propanoic acid CAS Name: 3-[4-(5-bromopentoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[4-(5-bromopentoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[4-(5-bromopentoxy)phenyl]propionic acid Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OCCCCCBr)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OCCCCCBr)C(=O)O

InChI

InChI=1S/C22H26BrNO5/c23-13-5-2-6-14-28-19-11-9-17(10-12-19)15-20(21(25)26)24-22(27)29-16-18-7-3-1-4-8-18/h1,3-4,7-12,20H,2,5-6,13-16H2,(H,24,27)(H,25,26)