ethyl 2-[5-bromanyl-2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]ethanoate hydrochloride

Systemtic Name: ethyl 2-[5-bromanyl-2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]ethanoate hydrochloride Openeye Name: ethyl 2-[5-bromo-2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetate hydrochloride CAS Name: 2-[5-bromo-2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[5-bromo-2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetate hydrochloride Traditional Name: 2-[5-bromo-2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]acetic acid ethyl ester hydrochloride Formula: C21H27BrClNO4 MolecularWeight: 472.80038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CNC(C)C2=CC=CC=C2)Br)OCC(=O)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CNC(C)C2=CC=CC=C2)Br)OCC(=O)OCC.Cl

InChI

InChI=1S/C21H26BrNO4.ClH/c1-4-25-19-11-17(13-23-15(3)16-9-7-6-8-10-16)18(22)12-20(19)27-14-21(24)26-5-2;/h6-12,15,23H,4-5,13-14H2,1-3H3;1H