tert-butyl 4-[3-[4-(3-phenylpropanoylamino)phenyl]propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[4-(3-phenylpropanoylamino)phenyl]propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-(3-phenylpropanoylamino)phenyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-(3-phenylpropanoylamino)phenyl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[4-(hydrocinnamoylamino)phenyl]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O4/c1-27(2,3)34-26(33)30-19-17-29(18-20-30)25(32)16-12-22-9-13-23(14-10-22)28-24(31)15-11-21-7-5-4-6-8-21/h4-10,13-14H,11-12,15-20H2,1-3H3,(H,28,31)