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

Systemtic Name: methyl 4-[[1-(2,2-dicyclohexylethanoyl)piperidin-4-ylidene]methyl]-3-fluoranyl-benzoate Openeye Name: methyl 4-[[1-(2,2-dicyclohexylacetyl)-4-piperidylidene]methyl]-3-fluoro-benzoate CAS Name: 4-[[1-(2,2-dicyclohexyl-1-oxoethyl)-4-piperidinylidene]methyl]-3-fluorobenzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2,2-dicyclohexylacetyl)piperidin-4-ylidene]methyl]-3-fluorobenzoate Traditional Name: 4-[[1-(2,2-dicyclohexylacetyl)-4-piperidylidene]methyl]-3-fluoro-benzoic acid methyl ester Formula: C28H38FNO3 MolecularWeight: 455.604623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C=C2CCN(CC2)C(=O)C(C3CCCCC3)C4CCCCC4)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C=C2CCN(CC2)C(=O)C(C3CCCCC3)C4CCCCC4)F

InChI

InChI=1S/C28H38FNO3/c1-33-28(32)24-13-12-23(25(29)19-24)18-20-14-16-30(17-15-20)27(31)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h12-13,18-19,21-22,26H,2-11,14-17H2,1H3