[5-cyano-2-[4-(dimethylamino)-1-(4-fluorophenyl)-1-oxidanyl-butyl]phenyl] ethanoate

Systemtic Name: [5-cyano-2-[4-(dimethylamino)-1-(4-fluorophenyl)-1-oxidanyl-butyl]phenyl] ethanoate Openeye Name: [5-cyano-2-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-butyl]phenyl] acetate CAS Name: acetic acid [5-cyano-2-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]phenyl] ester IUPAC Name: [5-cyano-2-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]phenyl] acetate Traditional Name: acetic acid [5-cyano-2-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-butyl]phenyl] ester Formula: C21H23FN2O3 MolecularWeight: 370.417323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)C#N)C(CCCN(C)C)(C2=CC=C(C=C2)F)O

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)C#N)C(CCCN(C)C)(C2=CC=C(C=C2)F)O

InChI

InChI=1S/C21H23FN2O3/c1-15(25)27-20-13-16(14-23)5-10-19(20)21(26,11-4-12-24(2)3)17-6-8-18(22)9-7-17/h5-10,13,26H,4,11-12H2,1-3H3