(2-bromanyl-4,5-diethoxy-phenyl)methyl 4-acetamidobenzoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 4-acetamidobenzoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C20H22BrNO5 MolecularWeight: 436.29638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC=C(C=C2)NC(=O)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=CC=C(C=C2)NC(=O)C)Br)OCC

InChI

InChI=1S/C20H22BrNO5/c1-4-25-18-10-15(17(21)11-19(18)26-5-2)12-27-20(24)14-6-8-16(9-7-14)22-13(3)23/h6-11H,4-5,12H2,1-3H3,(H,22,23)