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

Systemtic Name: (1R,2S)-2-[2-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-(3-chloro-5-ethoxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-(3-chloro-5-ethoxy-4-methoxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(3-chloro-5-ethoxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C19H25ClNO5- MolecularWeight: 382.8585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClNO5/c1-3-26-16-11-12(10-15(20)17(16)25-2)8-9-21-18(22)13-6-4-5-7-14(13)19(23)24/h10-11,13-14H,3-9H2,1-2H3,(H,21,22)(H,23,24)/p-1/t13-,14+/m0/s1