(4,5-dimethoxy-2-methyl-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)OC)OC

InChI

InChI=1S/C23H31NO5/c1-14-4-19(27-2)20(28-3)8-18(14)13-29-21(25)12-24-22(26)23-9-15-5-16(10-23)7-17(6-15)11-23/h4,8,15-17H,5-7,9-13H2,1-3H3,(H,24,26)