O4-tert-butyl O1-(phenylmethyl) 2-[(2-aminophenyl)carbamoyl]piperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-[(2-aminophenyl)carbamoyl]piperazine-1,4-dicarboxylate Openeye Name: O1-benzyl O4-tert-butyl 2-[(2-aminophenyl)carbamoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[(2-aminoanilino)-oxomethyl]piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-[(2-aminophenyl)carbamoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[(2-aminophenyl)carbamoyl]piperazine-1,4-dicarboxylic acid O1-benzyl ester O4-tert-butyl ester Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NC2=CC=CC=C2N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NC2=CC=CC=C2N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O5/c1-24(2,3)33-22(30)27-13-14-28(23(31)32-16-17-9-5-4-6-10-17)20(15-27)21(29)26-19-12-8-7-11-18(19)25/h4-12,20H,13-16,25H2,1-3H3,(H,26,29)