ethyl 6-bromanyl-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: ethyl 6-bromo-4-butoxy-2-isobutyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 6-bromo-4-butoxy-2-(2-methylpropyl)-1-oxo-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 6-bromo-4-butoxy-2-isobutyl-1-keto-isoquinoline-3-carboxylic acid ethyl ester Formula: C20H26BrNO4 MolecularWeight: 424.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC(C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC(C)C)C(=O)OCC

InChI

InChI=1S/C20H26BrNO4/c1-5-7-10-26-18-16-11-14(21)8-9-15(16)19(23)22(12-13(3)4)17(18)20(24)25-6-2/h8-9,11,13H,5-7,10,12H2,1-4H3