methyl 3-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamoyl]benzoate

Systemtic Name: methyl 3-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamoyl]benzoate Openeye Name: methyl 3-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamoyl]benzoate CAS Name: 3-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamoyl]benzoate Traditional Name: 3-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamoyl]benzoic acid methyl ester Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=CC(=CC=C2)C(=O)OC)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=CC(=CC=C2)C(=O)OC)Br

InChI

InChI=1S/C20H21BrN2O5/c1-12(2)13-7-8-17(16(21)10-13)28-11-18(24)22-23-19(25)14-5-4-6-15(9-14)20(26)27-3/h4-10,12H,11H2,1-3H3,(H,22,24)(H,23,25)