4-[[1-(2,2-dicyclohexylethanoyl)piperidin-4-ylidene]methyl]-3-fluoranyl-benzoic acid

Systemtic Name: 4-[[1-(2,2-dicyclohexylethanoyl)piperidin-4-ylidene]methyl]-3-fluoranyl-benzoic acid Openeye Name: 4-[[1-(2,2-dicyclohexylacetyl)-4-piperidylidene]methyl]-3-fluoro-benzoic acid CAS Name: 4-[[1-(2,2-dicyclohexyl-1-oxoethyl)-4-piperidinylidene]methyl]-3-fluorobenzoic acid IUPAC Name: 4-[[1-(2,2-dicyclohexylacetyl)piperidin-4-ylidene]methyl]-3-fluorobenzoic acid Traditional Name: 4-[[1-(2,2-dicyclohexylacetyl)-4-piperidylidene]methyl]-3-fluoro-benzoic acid Formula: C27H36FNO3 MolecularWeight: 441.578043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)C(=O)N3CCC(=CC4=C(C=C(C=C4)C(=O)O)F)CC3

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)C(=O)N3CCC(=CC4=C(C=C(C=C4)C(=O)O)F)CC3

InChI

InChI=1S/C27H36FNO3/c28-24-18-23(27(31)32)12-11-22(24)17-19-13-15-29(16-14-19)26(30)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h11-12,17-18,20-21,25H,1-10,13-16H2,(H,31,32)