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

Systemtic Name: (1R,2S)-2-[(4-methoxy-3-oxidanyl-phenyl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(3-hydroxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(3-hydroxy-4-methoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(3-hydroxy-4-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(3-hydroxy-4-methoxy-benzyl)carbamoyl]cyclohexanecarboxylate Formula: C16H20NO5- MolecularWeight: 306.3337

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCCCC2C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-22-14-7-6-10(8-13(14)18)9-17-15(19)11-4-2-3-5-12(11)16(20)21/h6-8,11-12,18H,2-5,9H2,1H3,(H,17,19)(H,20,21)/p-1/t11-,12+/m0/s1