ditert-butyl 2-[2-(3-methylimidazol-4-yl)ethyl-(phenylmethyl)carbamoyl]piperazine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 2-[2-(3-methylimidazol-4-yl)ethyl-(phenylmethyl)carbamoyl]piperazine-1,4-dicarboxylate Openeye Name: ditert-butyl 2-[benzyl-[2-(3-methylimidazol-4-yl)ethyl]carbamoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[2-(3-methyl-4-imidazolyl)ethyl-(phenylmethyl)amino]-oxomethyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[benzyl-[2-(3-methylimidazol-4-yl)ethyl]carbamoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[benzyl-[2-(3-methylimidazol-4-yl)ethyl]carbamoyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester Formula: C28H41N5O5 MolecularWeight: 527.65564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N(CCC2=CN=CN2C)CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N(CCC2=CN=CN2C)CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H41N5O5/c1-27(2,3)37-25(35)32-15-16-33(26(36)38-28(4,5)6)23(19-32)24(34)31(18-21-11-9-8-10-12-21)14-13-22-17-29-20-30(22)7/h8-12,17,20,23H,13-16,18-19H2,1-7H3