methyl 5-[(1-adamantylcarbonylamino)methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[(1-adamantylcarbonylamino)methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(adamantane-1-carbonylamino)methyl]-2-methoxy-benzoate CAS Name: 5-[[[1-adamantyl(oxo)methyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(adamantane-1-carbonylamino)methyl]-2-methoxybenzoate Traditional Name: 5-[(adamantane-1-carbonylamino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-25-18-4-3-13(8-17(18)19(23)26-2)12-22-20(24)21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,14-16H,5-7,9-12H2,1-2H3,(H,22,24)