ethyl 5-[3-[methyl-(phenylmethyl)amino]-2-oxidanyl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate hydrochloride

Systemtic Name: ethyl 5-[3-[methyl-(phenylmethyl)amino]-2-oxidanyl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate hydrochloride Openeye Name: ethyl 5-[3-[benzyl(methyl)amino]-2-hydroxy-propoxy]-2-phenyl-benzofuran-3-carboxylate hydrochloride CAS Name: 5-[2-hydroxy-3-[methyl-(phenylmethyl)amino]propoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]-2-phenyl-1-benzofuran-3-carboxylate hydrochloride Traditional Name: 5-[3-[benzyl(methyl)amino]-2-hydroxy-propoxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester hydrochloride Formula: C28H30ClNO5 MolecularWeight: 495.9945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(CN(C)CC3=CC=CC=C3)O)C4=CC=CC=C4.Cl

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(CN(C)CC3=CC=CC=C3)O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C28H29NO5.ClH/c1-3-32-28(31)26-24-16-23(14-15-25(24)34-27(26)21-12-8-5-9-13-21)33-19-22(30)18-29(2)17-20-10-6-4-7-11-20;/h4-16,22,30H,3,17-19H2,1-2H3;1H