(1R,2S)-2-[2-(4-butoxy-3-ethoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[2-(4-butoxy-3-ethoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-(4-butoxy-3-ethoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-(4-butoxy-3-ethoxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-(4-butoxy-3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(4-butoxy-3-ethoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C22H32NO5- MolecularWeight: 390.49318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCNC(=O)C2CCCCC2C(=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])OCC

InChI

InChI=1S/C22H33NO5/c1-3-5-14-28-19-11-10-16(15-20(19)27-4-2)12-13-23-21(24)17-8-6-7-9-18(17)22(25)26/h10-11,15,17-18H,3-9,12-14H2,1-2H3,(H,23,24)(H,25,26)/p-1/t17-,18+/m0/s1