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

Systemtic Name: (4-nitrophenyl)methyl (2R)-4-methyl-2-[(4-methylcyclohexyl)carbonylamino]pentanoate Openeye Name: (4-nitrophenyl)methyl (2R)-4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate CAS Name: (2R)-4-methyl-2-[[(4-methylcyclohexyl)-oxomethyl]amino]pentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R)-4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate Traditional Name: (2R)-4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]valeric acid (4-nitrobenzyl) ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5/c1-14(2)12-19(22-20(24)17-8-4-15(3)5-9-17)21(25)28-13-16-6-10-18(11-7-16)23(26)27/h6-7,10-11,14-15,17,19H,4-5,8-9,12-13H2,1-3H3,(H,22,24)/t15?,17?,19-/m1/s1