3-azanylpropyl 4-(1-benzofuran-2-yl)-4-oxidanyl-2-phenoxy-butanoate hydrochloride

Systemtic Name: 3-azanylpropyl 4-(1-benzofuran-2-yl)-4-oxidanyl-2-phenoxy-butanoate hydrochloride Openeye Name: 3-aminopropyl 4-(benzofuran-2-yl)-4-hydroxy-2-phenoxy-butanoate hydrochloride CAS Name: 4-(2-benzofuranyl)-4-hydroxy-2-phenoxybutanoic acid 3-aminopropyl ester hydrochloride IUPAC Name: 3-aminopropyl 4-(1-benzofuran-2-yl)-4-hydroxy-2-phenoxybutanoate hydrochloride Traditional Name: 4-(benzofuran-2-yl)-4-hydroxy-2-phenoxy-butyric acid 3-aminopropyl ester hydrochloride Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CC(C2=CC3=CC=CC=C3O2)O)C(=O)OCCCN.Cl

Isomeric SMILES

C1=CC=C(C=C1)OC(CC(C2=CC3=CC=CC=C3O2)O)C(=O)OCCCN.Cl

InChI

InChI=1S/C21H23NO5.ClH/c22-11-6-12-25-21(24)20(26-16-8-2-1-3-9-16)14-17(23)19-13-15-7-4-5-10-18(15)27-19;/h1-5,7-10,13,17,20,23H,6,11-12,14,22H2;1H