ethyl 5-oxidanyl-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate hydrochloride

Systemtic Name: ethyl 5-oxidanyl-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate hydrochloride Openeye Name: ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)benzofuran-3-carboxylate hydrochloride CAS Name: 5-hydroxy-2-phenyl-4-(1-pyrrolidinylmethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate hydrochloride Traditional Name: 5-hydroxy-2-phenyl-4-(pyrrolidinomethyl)benzofuran-3-carboxylic acid ethyl ester hydrochloride Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCC3)C4=CC=CC=C4.Cl

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCC3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C22H23NO4.ClH/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;1H