methyl 4-[(1-adamantylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 4-[(1-adamantylcarbonylamino)methyl]benzoate Openeye Name: methyl 4-[(adamantane-1-carbonylamino)methyl]benzoate CAS Name: 4-[[[1-adamantyl(oxo)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(adamantane-1-carbonylamino)methyl]benzoate Traditional Name: 4-[(adamantane-1-carbonylamino)methyl]benzoic acid methyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-24-18(22)17-4-2-13(3-5-17)12-21-19(23)20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3,(H,21,23)