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

Systemtic Name: (4-nitrophenyl)methyl (1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[(4-ethylanilino)-oxomethyl]-1-cyclohexanecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexanecarboxylic acid (4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-2-16-7-11-18(12-8-16)24-22(26)20-5-3-4-6-21(20)23(27)30-15-17-9-13-19(14-10-17)25(28)29/h7-14,20-21H,2-6,15H2,1H3,(H,24,26)/t20-,21+/m0/s1