cycloheptyl 2-chloranyl-5-[3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoate

Systemtic Name: cycloheptyl 2-chloranyl-5-[3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-benzoate Openeye Name: cycloheptyl 2-chloro-5-(3,4-dimethyl-2,6-dioxo-pyrimidin-1-yl)-4-fluoro-benzoate CAS Name: 2-chloro-5-(3,4-dimethyl-2,6-dioxo-1-pyrimidinyl)-4-fluorobenzoic acid cycloheptyl ester IUPAC Name: cycloheptyl 2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorobenzoate Traditional Name: 2-chloro-5-(2,6-diketo-3,4-dimethyl-pyrimidin-1-yl)-4-fluoro-benzoic acid cycloheptyl ester Formula: C20H22ClFN2O4 MolecularWeight: 408.851083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)OC3CCCCCC3)Cl)F

Isomeric SMILES

CC1=CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)OC3CCCCCC3)Cl)F

InChI

InChI=1S/C20H22ClFN2O4/c1-12-9-18(25)24(20(27)23(12)2)17-10-14(15(21)11-16(17)22)19(26)28-13-7-5-3-4-6-8-13/h9-11,13H,3-8H2,1-2H3