[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H20BrNO4/c1-13(2)11-19(24)22-17-9-5-14(6-10-17)18(23)12-26-20(25)15-3-7-16(21)8-4-15/h3-10,13H,11-12H2,1-2H3,(H,22,24)