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

Systemtic Name: methyl 3-[3-[(2-bromanyl-3,3-dimethyl-butanoyl)amino]propanoylamino]benzoate Openeye Name: methyl 3-[3-[(2-bromo-3,3-dimethyl-butanoyl)amino]propanoylamino]benzoate CAS Name: 3-[[3-[(2-bromo-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[(2-bromo-3,3-dimethylbutanoyl)amino]propanoylamino]benzoate Traditional Name: 3-[3-[(2-bromo-3,3-dimethyl-butanoyl)amino]propanoylamino]benzoic acid methyl ester Formula: C17H23BrN2O4 MolecularWeight: 399.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NCCC(=O)NC1=CC=CC(=C1)C(=O)OC)Br

Isomeric SMILES

CC(C)(C)C(C(=O)NCCC(=O)NC1=CC=CC(=C1)C(=O)OC)Br

InChI

InChI=1S/C17H23BrN2O4/c1-17(2,3)14(18)15(22)19-9-8-13(21)20-12-7-5-6-11(10-12)16(23)24-4/h5-7,10,14H,8-9H2,1-4H3,(H,19,22)(H,20,21)