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

Systemtic Name: (1R,2S)-2-[(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(3-chloro-5-ethoxy-4-hydroxy-phenyl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(3-chloro-5-ethoxy-4-hydroxy-benzyl)carbamoyl]cyclohexanecarboxylate Formula: C17H21ClNO5- MolecularWeight: 354.80534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO5/c1-2-24-14-8-10(7-13(18)15(14)20)9-19-16(21)11-5-3-4-6-12(11)17(22)23/h7-8,11-12,20H,2-6,9H2,1H3,(H,19,21)(H,22,23)/p-1/t11-,12+/m0/s1