tert-butyl 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylate

Systemtic Name: tert-butyl 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylate Openeye Name: tert-butyl 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carboxylate CAS Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylate Traditional Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)phthalan-5-carboxylic acid tert-butyl ester Formula: C24H30FNO3 MolecularWeight: 399.498303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)C(OC2)(CCCN(C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)C(OC2)(CCCN(C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H30FNO3/c1-23(2,3)29-22(27)17-7-12-21-18(15-17)16-28-24(21,13-6-14-26(4)5)19-8-10-20(25)11-9-19/h7-12,15H,6,13-14,16H2,1-5H3