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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[(4-bromophenyl)methyl]piperazine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)methyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 1-(4-bromobenzyl)-4-carbobenzoxy-piperazine-2-carboxylic acid Formula: C20H21BrN2O4 MolecularWeight: 433.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4/c21-17-8-6-15(7-9-17)12-22-10-11-23(13-18(22)19(24)25)20(26)27-14-16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,24,25)