ethyl 5-[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: ethyl 5-[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]-2-chloranyl-benzoate Openeye Name: ethyl 5-[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C20H21BrClNO4 MolecularWeight: 454.74204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)COC2=C(C=C(C=C2)C(C)C)Br)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)COC2=C(C=C(C=C2)C(C)C)Br)Cl

InChI

InChI=1S/C20H21BrClNO4/c1-4-26-20(25)15-10-14(6-7-17(15)22)23-19(24)11-27-18-8-5-13(12(2)3)9-16(18)21/h5-10,12H,4,11H2,1-3H3,(H,23,24)