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

Systemtic Name: 4-[[1-(1-adamantylcarbonyl)piperidin-4-ylidene]methyl]-3-fluoranyl-benzoic acid Openeye Name: 4-[[1-(adamantane-1-carbonyl)-4-piperidylidene]methyl]-3-fluoro-benzoic acid CAS Name: 4-[[1-[1-adamantyl(oxo)methyl]-4-piperidinylidene]methyl]-3-fluorobenzoic acid IUPAC Name: 4-[[1-(adamantane-1-carbonyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid Traditional Name: 4-[[1-(adamantane-1-carbonyl)-4-piperidylidene]methyl]-3-fluoro-benzoic acid Formula: C24H28FNO3 MolecularWeight: 397.482423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=CC2=C(C=C(C=C2)C(=O)O)F)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCC1=CC2=C(C=C(C=C2)C(=O)O)F)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28FNO3/c25-21-11-20(22(27)28)2-1-19(21)10-15-3-5-26(6-4-15)23(29)24-12-16-7-17(13-24)9-18(8-16)14-24/h1-2,10-11,16-18H,3-9,12-14H2,(H,27,28)