[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-5-phenylazanyl-pentanoate

Systemtic Name: [2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-5-phenylazanyl-pentanoate Openeye Name: [2-(4-bromo-2,3-dimethyl-anilino)-2-oxo-ethyl] 5-anilino-5-oxo-pentanoate CAS Name: 5-anilino-5-oxopentanoic acid [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate Traditional Name: 5-anilino-5-keto-valeric acid [2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl] ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H23BrN2O4/c1-14-15(2)18(12-11-17(14)22)24-20(26)13-28-21(27)10-6-9-19(25)23-16-7-4-3-5-8-16/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,23,25)(H,24,26)