4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-1-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-1-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-2-carboxylic acid CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-1-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-4-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]piperazine-2-carboxylic acid Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O4/c26-12-19-6-8-20(9-7-19)14-29-18-27-13-22(29)15-28-10-11-30(23(16-28)24(31)32)25(33)34-17-21-4-2-1-3-5-21/h1-9,13,18,23H,10-11,14-17H2,(H,31,32)