(4-fluorophenyl)methyl 2-(1-adamantylcarbamoyl)benzoate

Systemtic Name: (4-fluorophenyl)methyl 2-(1-adamantylcarbamoyl)benzoate Openeye Name: (4-fluorophenyl)methyl 2-(1-adamantylcarbamoyl)benzoate CAS Name: 2-[(1-adamantylamino)-oxomethyl]benzoic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 2-(1-adamantylcarbamoyl)benzoate Traditional Name: 2-(1-adamantylcarbamoyl)benzoic acid (4-fluorobenzyl) ester Formula: C25H26FNO3 MolecularWeight: 407.477243

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C(=O)OCC5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C(=O)OCC5=CC=C(C=C5)F

InChI

InChI=1S/C25H26FNO3/c26-20-7-5-16(6-8-20)15-30-24(29)22-4-2-1-3-21(22)23(28)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19H,9-15H2,(H,27,28)