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

Systemtic Name: (1R,2S)-2-[2-(4-methoxy-3-oxidanyl-phenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-(3-hydroxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-(3-hydroxy-4-methoxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-(3-hydroxy-4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(3-hydroxy-4-methoxy-phenyl)ethylcarbamoyl]cyclohexanecarboxylate Formula: C17H22NO5- MolecularWeight: 320.36028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5/c1-23-15-7-6-11(10-14(15)19)8-9-18-16(20)12-4-2-3-5-13(12)17(21)22/h6-7,10,12-13,19H,2-5,8-9H2,1H3,(H,18,20)(H,21,22)/p-1/t12-,13+/m0/s1