methyl 2-[2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoylamino]-3-methyl-benzoate

Systemtic Name: methyl 2-[2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoylamino]-3-methyl-benzoate Openeye Name: methyl 2-[[2-(2-bromo-4,5-diethoxy-phenyl)acetyl]amino]-3-methyl-benzoate CAS Name: 2-[[2-(2-bromo-4,5-diethoxyphenyl)-1-oxoethyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]-3-methylbenzoate Traditional Name: 2-[[2-(2-bromo-4,5-diethoxy-phenyl)acetyl]amino]-3-methyl-benzoic acid methyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CC(=O)NC2=C(C=CC=C2C)C(=O)OC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CC(=O)NC2=C(C=CC=C2C)C(=O)OC)Br)OCC

InChI

InChI=1S/C21H24BrNO5/c1-5-27-17-10-14(16(22)12-18(17)28-6-2)11-19(24)23-20-13(3)8-7-9-15(20)21(25)26-4/h7-10,12H,5-6,11H2,1-4H3,(H,23,24)