methyl 5-bromanyl-3-methyl-2-(2-methylpropylamino)benzoate

Systemtic Name: methyl 5-bromanyl-3-methyl-2-(2-methylpropylamino)benzoate Openeye Name: methyl 5-bromo-2-(isobutylamino)-3-methyl-benzoate CAS Name: 5-bromo-3-methyl-2-(2-methylpropylamino)benzoic acid methyl ester IUPAC Name: methyl 5-bromo-3-methyl-2-(2-methylpropylamino)benzoate Traditional Name: 5-bromo-2-(isobutylamino)-3-methyl-benzoic acid methyl ester Formula: C13H18BrNO2 MolecularWeight: 300.19152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)OC)NCC(C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)OC)NCC(C)C

InChI

InChI=1S/C13H18BrNO2/c1-8(2)7-15-12-9(3)5-10(14)6-11(12)13(16)17-4/h5-6,8,15H,7H2,1-4H3