tert-butyl (3S)-4-[(4-methoxyphenyl)methyl]-2,5-bis(oxidanylidene)-3-propan-2-yl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (3S)-4-[(4-methoxyphenyl)methyl]-2,5-bis(oxidanylidene)-3-propan-2-yl-piperazine-1-carboxylate Openeye Name: tert-butyl (3S)-3-isopropyl-4-[(4-methoxyphenyl)methyl]-2,5-dioxo-piperazine-1-carboxylate CAS Name: (3S)-4-[(4-methoxyphenyl)methyl]-2,5-dioxo-3-propan-2-yl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[(4-methoxyphenyl)methyl]-2,5-dioxo-3-propan-2-ylpiperazine-1-carboxylate Traditional Name: (3S)-3-isopropyl-2,5-diketo-4-p-anisyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(CC(=O)N1CC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@H]1C(=O)N(CC(=O)N1CC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O5/c1-13(2)17-18(24)22(19(25)27-20(3,4)5)12-16(23)21(17)11-14-7-9-15(26-6)10-8-14/h7-10,13,17H,11-12H2,1-6H3/t17-/m0/s1