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

Systemtic Name: butyl 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C24H30FNO3 MolecularWeight: 399.498303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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