[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C23H29NO6/c1-28-19-4-3-17(8-20(19)29-2)18(25)13-30-21(26)12-24-22(27)23-9-14-5-15(10-23)7-16(6-14)11-23/h3-4,8,14-16H,5-7,9-13H2,1-2H3,(H,24,27)