(4-nitrophenyl) (1S,2R)-2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (4-nitrophenyl) (1S,2R)-2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (4-nitrophenyl) (1S,2R)-2-(diisobutylcarbamoyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[bis(2-methylpropyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (1S,2R)-2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(diisobutylcarbamoyl)cyclohexanecarboxylic acid (4-nitrophenyl) ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)C1CCCCC1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H32N2O5/c1-15(2)13-23(14-16(3)4)21(25)19-7-5-6-8-20(19)22(26)29-18-11-9-17(10-12-18)24(27)28/h9-12,15-16,19-20H,5-8,13-14H2,1-4H3/t19-,20+/m1/s1