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

Systemtic Name: (4-chlorophenyl)methyl (1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (4-chlorophenyl)methyl (1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[(4-ethylanilino)-oxomethyl]-1-cyclohexanecarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl (1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexanecarboxylic acid (4-chlorobenzyl) ester Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO3/c1-2-16-9-13-19(14-10-16)25-22(26)20-5-3-4-6-21(20)23(27)28-15-17-7-11-18(24)12-8-17/h7-14,20-21H,2-6,15H2,1H3,(H,25,26)/t20-,21+/m0/s1