tert-butyl 3-oxidanylidene-2-[(4-phenylmethoxyphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-2-[(4-phenylmethoxyphenyl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-[(4-benzyloxyphenyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 3-oxo-2-[(4-phenylmethoxyphenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-2-[(4-phenylmethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 2-(4-benzoxybenzyl)-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(=O)C1CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(=O)C1CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)25-14-13-24-21(26)20(25)15-17-9-11-19(12-10-17)28-16-18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3,(H,24,26)