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

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) 2-[1-[(4-indol-1-ylpyrimidin-2-yl)amino]ethyl]piperazine-1,4-dicarboxylate Openeye Name: O4-benzyl O1-tert-butyl 2-[1-[(4-indol-1-ylpyrimidin-2-yl)amino]ethyl]piperazine-1,4-dicarboxylate CAS Name: 2-[1-[[4-(1-indolyl)-2-pyrimidinyl]amino]ethyl]piperazine-1,4-dicarboxylic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl 2-[1-[(4-indol-1-ylpyrimidin-2-yl)amino]ethyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[1-[(4-indol-1-ylpyrimidin-2-yl)amino]ethyl]piperazine-1,4-dicarboxylic acid O4-benzyl ester O1-tert-butyl ester Formula: C31H36N6O4 MolecularWeight: 556.65534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=CC5=CC=CC=C54

Isomeric SMILES

CC(C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=CC5=CC=CC=C54

InChI

InChI=1S/C31H36N6O4/c1-22(33-28-32-16-14-27(34-28)36-17-15-24-12-8-9-13-25(24)36)26-20-35(18-19-37(26)30(39)41-31(2,3)4)29(38)40-21-23-10-6-5-7-11-23/h5-17,22,26H,18-21H2,1-4H3,(H,32,33,34)