O4-tert-butyl O1-(phenylmethyl) 2-[2-(acetamidomethyl)pyrrolidin-1-yl]carbonylpiperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-[2-(acetamidomethyl)pyrrolidin-1-yl]carbonylpiperazine-1,4-dicarboxylate Openeye Name: O1-benzyl O4-tert-butyl 2-[2-(acetamidomethyl)pyrrolidine-1-carbonyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[2-(acetamidomethyl)-1-pyrrolidinyl]-oxomethyl]piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-[2-(acetamidomethyl)pyrrolidine-1-carbonyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[2-(acetamidomethyl)pyrrolidine-1-carbonyl]piperazine-1,4-dicarboxylic acid O1-benzyl ester O4-tert-butyl ester Formula: C25H36N4O6 MolecularWeight: 488.57654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CCCN1C(=O)C2CN(CCN2C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NCC1CCCN1C(=O)C2CN(CCN2C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H36N4O6/c1-18(30)26-15-20-11-8-12-28(20)22(31)21-16-27(23(32)35-25(2,3)4)13-14-29(21)24(33)34-17-19-9-6-5-7-10-19/h5-7,9-10,20-21H,8,11-17H2,1-4H3,(H,26,30)