3-ethoxycarbonyl-2-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-5-olate

Systemtic Name: 3-ethoxycarbonyl-2-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-5-olate Openeye Name: 3-ethoxycarbonyl-2-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-5-olate CAS Name: 3-ethoxycarbonyl-2-phenyl-4-(1-pyrrolidin-1-iumylmethyl)-5-benzofuranolate IUPAC Name: 3-ethoxycarbonyl-2-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-5-olate Traditional Name: 3-carbethoxy-2-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-5-olate Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)[O-])C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)[O-])C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO4/c1-2-26-22(25)20-19-16(14-23-12-6-7-13-23)17(24)10-11-18(19)27-21(20)15-8-4-3-5-9-15/h3-5,8-11,24H,2,6-7,12-14H2,1H3