(1R,2R)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-(veratrylcarbamoyl)cyclohexanecarboxylate Formula: C17H22NO5- MolecularWeight: 320.36028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5/c1-22-14-8-7-11(9-15(14)23-2)10-18-16(19)12-5-3-4-6-13(12)17(20)21/h7-9,12-13H,3-6,10H2,1-2H3,(H,18,19)(H,20,21)/p-1/t12-,13-/m1/s1