ditert-butyl 2-[3-imidazol-1-ylpropyl-(phenylmethyl)carbamoyl]piperazine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 2-[3-imidazol-1-ylpropyl-(phenylmethyl)carbamoyl]piperazine-1,4-dicarboxylate Openeye Name: ditert-butyl 2-[benzyl(3-imidazol-1-ylpropyl)carbamoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[3-(1-imidazolyl)propyl-(phenylmethyl)amino]-oxomethyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[benzyl(3-imidazol-1-ylpropyl)carbamoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[benzyl(3-imidazol-1-ylpropyl)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(CCCN2C=CN=C2)CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N(CCCN2C=CN=C2)CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H41N5O5/c1-27(2,3)37-25(35)32-17-18-33(26(36)38-28(4,5)6)23(20-32)24(34)31(19-22-11-8-7-9-12-22)15-10-14-30-16-13-29-21-30/h7-9,11-13,16,21,23H,10,14-15,17-20H2,1-6H3