5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[(4-butoxy-3-methoxy-phenyl)methyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-(4-butoxy-3-methoxy-benzyl)-2-ethoxy-benzamide Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)Br)OCC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)Br)OCC)OC

InChI

InChI=1S/C21H26BrNO4/c1-4-6-11-27-19-9-7-15(12-20(19)25-3)14-23-21(24)17-13-16(22)8-10-18(17)26-5-2/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,23,24)