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

Systemtic Name: ethyl 4-[3-[(2-bromanyl-3,3-dimethyl-butanoyl)amino]propanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[3-[(2-bromo-3,3-dimethylbutanoyl)amino]propanoylamino]benzoate Traditional Name: 4-[3-[(2-bromo-3,3-dimethyl-butanoyl)amino]propanoylamino]benzoic acid ethyl ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN2O4/c1-5-25-17(24)12-6-8-13(9-7-12)21-14(22)10-11-20-16(23)15(19)18(2,3)4/h6-9,15H,5,10-11H2,1-4H3,(H,20,23)(H,21,22)