ethyl 2-[4-[(1-bromanylisoquinolin-3-yl)-methyl-amino]phenoxy]propanoate

Systemtic Name: ethyl 2-[4-[(1-bromanylisoquinolin-3-yl)-methyl-amino]phenoxy]propanoate Openeye Name: ethyl 2-[4-[(1-bromo-3-isoquinolyl)-methyl-amino]phenoxy]propanoate CAS Name: 2-[4-[(1-bromo-3-isoquinolinyl)-methylamino]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(1-bromoisoquinolin-3-yl)-methylamino]phenoxy]propanoate Traditional Name: 2-[4-[(1-bromo-3-isoquinolyl)-methyl-amino]phenoxy]propionic acid ethyl ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=C(C=C1)N(C)C2=CC3=CC=CC=C3C(=N2)Br

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=C(C=C1)N(C)C2=CC3=CC=CC=C3C(=N2)Br

InChI

InChI=1S/C21H21BrN2O3/c1-4-26-21(25)14(2)27-17-11-9-16(10-12-17)24(3)19-13-15-7-5-6-8-18(15)20(22)23-19/h5-14H,4H2,1-3H3