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

Systemtic Name: (4-nitrophenyl) 3-methyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]butanoate Openeye Name: (4-nitrophenyl) 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-methyl-butyric acid (4-nitrophenyl) ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O5/c1-17(2)21(22(28)32-20-10-8-19(9-11-20)27(30)31)24-23(29)26-14-12-25(13-15-26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H,24,29)