(1R,2S)-2-[2-(3-chloranyl-4,5-diethoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[2-(3-chloranyl-4,5-diethoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-(3-chloro-4,5-diethoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-(3-chloro-4,5-diethoxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-(3-chloro-4,5-diethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(3-chloro-4,5-diethoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C20H27ClNO5- MolecularWeight: 396.88508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CCNC(=O)C2CCCCC2C(=O)[O-])Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])Cl)OCC

InChI

InChI=1S/C20H28ClNO5/c1-3-26-17-12-13(11-16(21)18(17)27-4-2)9-10-22-19(23)14-7-5-6-8-15(14)20(24)25/h11-12,14-15H,3-10H2,1-2H3,(H,22,23)(H,24,25)/p-1/t14-,15+/m0/s1