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

Systemtic Name: (1R,2S)-2-[2-(3-ethoxy-4-propoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-(3-ethoxy-4-propoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-(3-ethoxy-4-propoxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-(3-ethoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(3-ethoxy-4-propoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C21H30NO5- MolecularWeight: 376.4666

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CCNC(=O)C2CCCCC2C(=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])OCC

InChI

InChI=1S/C21H31NO5/c1-3-13-27-18-10-9-15(14-19(18)26-4-2)11-12-22-20(23)16-7-5-6-8-17(16)21(24)25/h9-10,14,16-17H,3-8,11-13H2,1-2H3,(H,22,23)(H,24,25)/p-1/t16-,17+/m0/s1