(2-nitrophenyl)methyl (1S,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (2-nitrophenyl)methyl (1S,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (2-nitrophenyl)methyl (1S,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(4-ethylanilino)-oxomethyl]-1-cyclohexanecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (1S,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexanecarboxylic acid (2-nitrobenzyl) ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O5/c1-2-16-11-13-18(14-12-16)24-22(26)19-8-4-5-9-20(19)23(27)30-15-17-7-3-6-10-21(17)25(28)29/h3,6-7,10-14,19-20H,2,4-5,8-9,15H2,1H3,(H,24,26)/t19-,20-/m0/s1