1-[(3-fluorophenyl)methyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[(3-fluorophenyl)methyl]piperazine-2-carboxylic acid CAS Name: 1-[(3-fluorophenyl)methyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(3-fluorobenzyl)piperazine-2-carboxylic acid Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H21FN2O4/c21-17-8-4-7-16(11-17)12-22-9-10-23(13-18(22)19(24)25)20(26)27-14-15-5-2-1-3-6-15/h1-8,11,18H,9-10,12-14H2,(H,24,25)