methyl 4-[[1-(1-adamantylcarbonyl)piperidin-4-ylidene]methyl]-3-fluoranyl-benzoate

Systemtic Name: methyl 4-[[1-(1-adamantylcarbonyl)piperidin-4-ylidene]methyl]-3-fluoranyl-benzoate Openeye Name: methyl 4-[[1-(adamantane-1-carbonyl)-4-piperidylidene]methyl]-3-fluoro-benzoate CAS Name: 4-[[1-[1-adamantyl(oxo)methyl]-4-piperidinylidene]methyl]-3-fluorobenzoic acid methyl ester IUPAC Name: methyl 4-[[1-(adamantane-1-carbonyl)piperidin-4-ylidene]methyl]-3-fluorobenzoate Traditional Name: 4-[[1-(adamantane-1-carbonyl)-4-piperidylidene]methyl]-3-fluoro-benzoic acid methyl ester Formula: C25H30FNO3 MolecularWeight: 411.509003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C=C2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C=C2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C25H30FNO3/c1-30-23(28)21-3-2-20(22(26)12-21)11-16-4-6-27(7-5-16)24(29)25-13-17-8-18(14-25)10-19(9-17)15-25/h2-3,11-12,17-19H,4-10,13-15H2,1H3