(4-nitrophenyl) 3-methyl-2-[(4-phenylpiperazin-1-yl)carbonylamino]butanoate

Systemtic Name: (4-nitrophenyl) 3-methyl-2-[(4-phenylpiperazin-1-yl)carbonylamino]butanoate Openeye Name: (4-nitrophenyl) 3-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butanoate CAS Name: 3-methyl-2-[[oxo-(4-phenyl-1-piperazinyl)methyl]amino]butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butanoate Traditional Name: 3-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butyric acid (4-nitrophenyl) ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O5/c1-16(2)20(21(27)31-19-10-8-18(9-11-19)26(29)30)23-22(28)25-14-12-24(13-15-25)17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3,(H,23,28)