4-[(1-adamantylcarbonylamino)methyl]benzoate

Systemtic Name: 4-[(1-adamantylcarbonylamino)methyl]benzoate Openeye Name: 4-[(adamantane-1-carbonylamino)methyl]benzoate CAS Name: 4-[[[1-adamantyl(oxo)methyl]amino]methyl]benzoate IUPAC Name: 4-[(adamantane-1-carbonylamino)methyl]benzoate Traditional Name: 4-[(adamantane-1-carbonylamino)methyl]benzoate Formula: C19H22NO3- MolecularWeight: 312.38288

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C19H23NO3/c21-17(22)16-3-1-12(2-4-16)11-20-18(23)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-11H2,(H,20,23)(H,21,22)/p-1