O4-tert-butyl O1-(phenylmethyl) 2-[2-(2,5-dimethylimidazol-1-yl)ethylcarbamoyl]piperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-[2-(2,5-dimethylimidazol-1-yl)ethylcarbamoyl]piperazine-1,4-dicarboxylate Openeye Name: O1-benzyl O4-tert-butyl 2-[2-(2,5-dimethylimidazol-1-yl)ethylcarbamoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[2-(2,5-dimethyl-1-imidazolyl)ethylamino]-oxomethyl]piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-[2-(2,5-dimethylimidazol-1-yl)ethylcarbamoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[2-(2,5-dimethylimidazol-1-yl)ethylcarbamoyl]piperazine-1,4-dicarboxylic acid O1-benzyl ester O4-tert-butyl ester Formula: C25H35N5O5 MolecularWeight: 485.5759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N1CCNC(=O)C2CN(CCN2C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CN=C(N1CCNC(=O)C2CN(CCN2C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H35N5O5/c1-18-15-27-19(2)29(18)12-11-26-22(31)21-16-28(23(32)35-25(3,4)5)13-14-30(21)24(33)34-17-20-9-7-6-8-10-20/h6-10,15,21H,11-14,16-17H2,1-5H3,(H,26,31)