(4-nitrophenyl)methyl (2R)-3-methyl-2-[(4-methylcyclohexyl)carbonylamino]butanoate

Systemtic Name: (4-nitrophenyl)methyl (2R)-3-methyl-2-[(4-methylcyclohexyl)carbonylamino]butanoate Openeye Name: (4-nitrophenyl)methyl (2R)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate CAS Name: (2R)-3-methyl-2-[[(4-methylcyclohexyl)-oxomethyl]amino]butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate Traditional Name: (2R)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butyric acid (4-nitrobenzyl) ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)C(=O)N[C@H](C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H28N2O5/c1-13(2)18(21-19(23)16-8-4-14(3)5-9-16)20(24)27-12-15-6-10-17(11-7-15)22(25)26/h6-7,10-11,13-14,16,18H,4-5,8-9,12H2,1-3H3,(H,21,23)/t14?,16?,18-/m1/s1