O1-tert-butyl O4-(phenylmethyl) 2-(propan-2-ylcarbamoyl)piperazine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) 2-(propan-2-ylcarbamoyl)piperazine-1,4-dicarboxylate Openeye Name: O4-benzyl O1-tert-butyl 2-(isopropylcarbamoyl)piperazine-1,4-dicarboxylate CAS Name: 2-[oxo-(propan-2-ylamino)methyl]piperazine-1,4-dicarboxylic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl 2-(propan-2-ylcarbamoyl)piperazine-1,4-dicarboxylate Traditional Name: 2-(isopropylcarbamoyl)piperazine-1,4-dicarboxylic acid O4-benzyl ester O1-tert-butyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O5/c1-15(2)22-18(25)17-13-23(11-12-24(17)20(27)29-21(3,4)5)19(26)28-14-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,22,25)