(phenylmethyl) 4-[3-[1-(2-aminocarbonyl-4-fluoranyl-phenoxy)ethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-[1-(2-aminocarbonyl-4-fluoranyl-phenoxy)ethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: benzyl 4-[3-[1-(2-carbamoyl-4-fluoro-phenoxy)ethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[1-(2-carbamoyl-4-fluorophenoxy)ethyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[1-(2-carbamoyl-4-fluorophenoxy)ethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[1-(2-carbamoyl-4-fluoro-phenoxy)ethyl]benzoyl]piperazine-1-carboxylic acid benzyl ester Formula: C28H28FN3O5 MolecularWeight: 505.537423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)OC4=C(C=C(C=C4)F)C(=O)N

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)OC4=C(C=C(C=C4)F)C(=O)N

InChI

InChI=1S/C28H28FN3O5/c1-19(37-25-11-10-23(29)17-24(25)26(30)33)21-8-5-9-22(16-21)27(34)31-12-14-32(15-13-31)28(35)36-18-20-6-3-2-4-7-20/h2-11,16-17,19H,12-15,18H2,1H3,(H2,30,33)