O1-tert-butyl O4-(phenylmethyl) 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]piperazine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]piperazine-1,4-dicarboxylate Openeye Name: O4-benzyl O1-tert-butyl 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]piperazine-1,4-dicarboxylate CAS Name: 2-[[4-(1-benzimidazolyl)-2-pyrimidinyl]-ethylamino]piperazine-1,4-dicarboxylic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethylamino]piperazine-1,4-dicarboxylate Traditional Name: 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]piperazine-1,4-dicarboxylic acid O4-benzyl ester O1-tert-butyl ester Formula: C30H35N7O4 MolecularWeight: 557.6434

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2)C3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CCN(C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2)C3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C30H35N7O4/c1-5-35(27-31-16-15-25(33-27)37-21-32-23-13-9-10-14-24(23)37)26-19-34(17-18-36(26)29(39)41-30(2,3)4)28(38)40-20-22-11-7-6-8-12-22/h6-16,21,26H,5,17-20H2,1-4H3