[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H22BrN3O5 MolecularWeight: 476.32048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O5/c1-12(15-4-6-17(22)7-5-15)23-20(28)11-30-21(29)16-8-18(24-13(2)26)10-19(9-16)25-14(3)27/h4-10,12H,11H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)