butyl 4-[3-[(2-bromanyl-3,3-dimethyl-butanoyl)amino]propanoylamino]benzoate

Systemtic Name: butyl 4-[3-[(2-bromanyl-3,3-dimethyl-butanoyl)amino]propanoylamino]benzoate Openeye Name: butyl 4-[3-[(2-bromo-3,3-dimethyl-butanoyl)amino]propanoylamino]benzoate CAS Name: 4-[[3-[(2-bromo-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-[(2-bromo-3,3-dimethylbutanoyl)amino]propanoylamino]benzoate Traditional Name: 4-[3-[(2-bromo-3,3-dimethyl-butanoyl)amino]propanoylamino]benzoic acid butyl ester Formula: C20H29BrN2O4 MolecularWeight: 441.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C(C(C)(C)C)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C(C(C)(C)C)Br

InChI

InChI=1S/C20H29BrN2O4/c1-5-6-13-27-19(26)14-7-9-15(10-8-14)23-16(24)11-12-22-18(25)17(21)20(2,3)4/h7-10,17H,5-6,11-13H2,1-4H3,(H,22,25)(H,23,24)