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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-22-11-7-6-10(14(18)8-11)9-17-15(19)12-4-2-3-5-13(12)16(20)21/h6-8,12-13,18H,2-5,9H2,1H3,(H,17,19)(H,20,21)/p-1/t12-,13+/m0/s1