(phenylmethyl) 1-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]piperazine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]piperazine-2-carboxylate Openeye Name: benzyl 1-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]piperazine-2-carboxylate CAS Name: 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-2-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]piperazine-2-carboxylate Traditional Name: 1-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]piperazine-2-carboxylic acid benzyl ester Formula: C26H26FN3O4 MolecularWeight: 463.500743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)OCC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)OCC4=CC=CC=C4)F

Isomeric SMILES

C1CN(C(CN1)C(=O)OCC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)OCC4=CC=CC=C4)F

InChI

InChI=1S/C26H26FN3O4/c27-22-15-21(29-26(32)34-18-20-9-5-2-6-10-20)11-12-23(22)30-14-13-28-16-24(30)25(31)33-17-19-7-3-1-4-8-19/h1-12,15,24,28H,13-14,16-18H2,(H,29,32)