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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F)C(=O)OCC4=CC=CC=C4

InChI

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