(2-bromanyl-4-ethoxycarbonyl-phenyl)methyl 4-methyl-3-(propanoylamino)benzoate

Systemtic Name: (2-bromanyl-4-ethoxycarbonyl-phenyl)methyl 4-methyl-3-(propanoylamino)benzoate Openeye Name: (2-bromo-4-ethoxycarbonyl-phenyl)methyl 4-methyl-3-(propanoylamino)benzoate CAS Name: 4-methyl-3-(1-oxopropylamino)benzoic acid (2-bromo-4-ethoxycarbonylphenyl)methyl ester IUPAC Name: (2-bromo-4-ethoxycarbonylphenyl)methyl 4-methyl-3-(propanoylamino)benzoate Traditional Name: 4-methyl-3-propionamido-benzoic acid (2-bromo-4-carbethoxy-benzyl) ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)OCC)Br)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)OCC)Br)C

InChI

InChI=1S/C21H22BrNO5/c1-4-19(24)23-18-11-15(7-6-13(18)3)21(26)28-12-16-9-8-14(10-17(16)22)20(25)27-5-2/h6-11H,4-5,12H2,1-3H3,(H,23,24)