methyl 3-(1-adamantylcarbonylamino)-4-fluoranyl-benzoate

Systemtic Name: methyl 3-(1-adamantylcarbonylamino)-4-fluoranyl-benzoate Openeye Name: methyl 3-(adamantane-1-carbonylamino)-4-fluoro-benzoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-(adamantane-1-carbonylamino)-4-fluorobenzoate Traditional Name: 3-(adamantane-1-carbonylamino)-4-fluoro-benzoic acid methyl ester Formula: C19H22FNO3 MolecularWeight: 331.381283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FNO3/c1-24-17(22)14-2-3-15(20)16(7-14)21-18(23)19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,21,23)