(1R,6R)-6-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-(veratrylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CC=CCC2C(=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/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/h3-4,7-9,12-13H,5-6,10H2,1-2H3,(H,18,19)(H,20,21)/p-1/t12-,13-/m1/s1