[7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-ethyl-1-benzofuran-4-yl]-phenyl-methanone hydrochloride

Systemtic Name: [7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-ethyl-1-benzofuran-4-yl]-phenyl-methanone hydrochloride Openeye Name: [7-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-ethyl-benzofuran-4-yl]-phenyl-methanone hydrochloride CAS Name: [7-[3-(tert-butylamino)-2-hydroxypropoxy]-2-ethyl-4-benzofuranyl]-phenylmethanone hydrochloride IUPAC Name: [7-[3-(tert-butylamino)-2-hydroxypropoxy]-2-ethyl-1-benzofuran-4-yl]-phenylmethanone hydrochloride Traditional Name: [7-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-ethyl-benzofuran-4-yl]-phenyl-methanone hydrochloride Formula: C24H30ClNO4 MolecularWeight: 431.9523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=CC(=C2O1)OCC(CNC(C)(C)C)O)C(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CCC1=CC2=C(C=CC(=C2O1)OCC(CNC(C)(C)C)O)C(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C24H29NO4.ClH/c1-5-18-13-20-19(22(27)16-9-7-6-8-10-16)11-12-21(23(20)29-18)28-15-17(26)14-25-24(2,3)4;/h6-13,17,25-26H,5,14-15H2,1-4H3;1H