[2-[[4-(1-adamantyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate

Systemtic Name: [2-[[4-(1-adamantyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate Openeye Name: [2-[4-(1-adamantyl)anilino]-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-[4-(1-adamantyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(1-adamantyl)anilino]-2-oxoethyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-[4-(1-adamantyl)anilino]-2-keto-ethyl] ester Formula: C25H26FNO3 MolecularWeight: 407.477243

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)COC(=O)C5=CC=CC=C5F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)COC(=O)C5=CC=CC=C5F

InChI

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