dimethyl 4-cyano-4-(2-fluoranyl-4-methyl-phenyl)heptanedioate

Systemtic Name: dimethyl 4-cyano-4-(2-fluoranyl-4-methyl-phenyl)heptanedioate Openeye Name: dimethyl 4-cyano-4-(2-fluoro-4-methyl-phenyl)heptanedioate CAS Name: 4-cyano-4-(2-fluoro-4-methylphenyl)heptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-cyano-4-(2-fluoro-4-methylphenyl)heptanedioate Traditional Name: 4-cyano-4-(2-fluoro-4-methyl-phenyl)pimelic acid dimethyl ester Formula: C17H20FNO4 MolecularWeight: 321.343403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CCC(=O)OC)(CCC(=O)OC)C#N)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(CCC(=O)OC)(CCC(=O)OC)C#N)F

InChI

InChI=1S/C17H20FNO4/c1-12-4-5-13(14(18)10-12)17(11-19,8-6-15(20)22-2)9-7-16(21)23-3/h4-5,10H,6-9H2,1-3H3