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

Systemtic Name: (1R,2S)-2-[2-(5-chloranyl-2-methoxy-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-(5-chloro-2-methoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-(5-chloro-2-methoxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-(5-chloro-2-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(5-chloro-2-methoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C17H21ClNO4- MolecularWeight: 338.80594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CCNC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C17H22ClNO4/c1-23-15-7-6-12(18)10-11(15)8-9-19-16(20)13-4-2-3-5-14(13)17(21)22/h6-7,10,13-14H,2-5,8-9H2,1H3,(H,19,20)(H,21,22)/p-1/t13-,14+/m0/s1