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

Systemtic Name: (1R,2S)-2-[2-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C18H23ClNO5- MolecularWeight: 368.83192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClNO5/c1-2-25-15-10-11(9-14(19)16(15)21)7-8-20-17(22)12-5-3-4-6-13(12)18(23)24/h9-10,12-13,21H,2-8H2,1H3,(H,20,22)(H,23,24)/p-1/t12-,13+/m0/s1