3-methylbutyl 4-[2-(3-bromanylphenoxy)ethanoylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[2-(3-bromanylphenoxy)ethanoylamino]benzoate Openeye Name: isopentyl 4-[[2-(3-bromophenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(3-bromophenoxy)-1-oxoethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[2-(3-bromophenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-bromophenoxy)acetyl]amino]benzoic acid isoamyl ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4/c1-14(2)10-11-25-20(24)15-6-8-17(9-7-15)22-19(23)13-26-18-5-3-4-16(21)12-18/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,23)