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

Systemtic Name: (1R,2S)-2-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(3-chloro-4-ethoxy-5-methoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(3-chloro-4-ethoxy-5-methoxy-benzyl)carbamoyl]cyclohexanecarboxylate Formula: C18H23ClNO5- MolecularWeight: 368.83192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)CNC(=O)C2CCCCC2C(=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])OC

InChI

InChI=1S/C18H24ClNO5/c1-3-25-16-14(19)8-11(9-15(16)24-2)10-20-17(21)12-6-4-5-7-13(12)18(22)23/h8-9,12-13H,3-7,10H2,1-2H3,(H,20,21)(H,22,23)/p-1/t12-,13+/m0/s1