methyl 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carboxylate

Systemtic Name: methyl 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carboxylate Openeye Name: methyl 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-isobenzofuran-5-carboxylate CAS Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-isobenzofuran-5-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carboxylate Traditional Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]phthalan-5-carboxylic acid methyl ester Formula: C20H22FNO3 MolecularWeight: 343.391983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCCC1(C2=C(CO1)C=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CNCCCC1(C2=C(CO1)C=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO3/c1-22-11-3-10-20(16-5-7-17(21)8-6-16)18-9-4-14(19(23)24-2)12-15(18)13-25-20/h4-9,12,22H,3,10-11,13H2,1-2H3