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

Systemtic Name: sodium 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carboxylate Openeye Name: sodium 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-isobenzofuran-5-carboxylate CAS Name: sodium 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-isobenzofuran-5-carboxylate IUPAC Name: sodium 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carboxylate Traditional Name: sodium 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]phthalan-5-carboxylate Formula: C19H19FNNaO3 MolecularWeight: 351.347233

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC1(C2=C(CO1)C=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)F.[Na+]

Isomeric SMILES

CNCCCC1(C2=C(CO1)C=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)F.[Na+]

InChI

InChI=1S/C19H20FNO3.Na/c1-21-10-2-9-19(15-4-6-16(20)7-5-15)17-8-3-13(18(22)23)11-14(17)12-24-19;/h3-8,11,21H,2,9-10,12H2,1H3,(H,22,23);/q;+1/p-1