butyl 4-[3-[(2-bromanyl-2-methyl-propanoyl)amino]propanoylamino]benzoate

Systemtic Name: butyl 4-[3-[(2-bromanyl-2-methyl-propanoyl)amino]propanoylamino]benzoate Openeye Name: butyl 4-[3-[(2-bromo-2-methyl-propanoyl)amino]propanoylamino]benzoate CAS Name: 4-[[3-[(2-bromo-2-methyl-1-oxopropyl)amino]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-[(2-bromo-2-methylpropanoyl)amino]propanoylamino]benzoate Traditional Name: 4-[3-[(2-bromo-2-methyl-propanoyl)amino]propanoylamino]benzoic acid butyl ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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