methyl 3-bromanyl-4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[4-(isovalerylamino)phenyl]-2-keto-ethoxy]benzoic acid methyl ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C21H22BrNO5/c1-13(2)10-20(25)23-16-7-4-14(5-8-16)18(24)12-28-19-9-6-15(11-17(19)22)21(26)27-3/h4-9,11,13H,10,12H2,1-3H3,(H,23,25)