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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1C(=O)OC)Br)C

Isomeric SMILES

CCCCNC1=C(C=C(C=C1C(=O)OC)Br)C

InChI

InChI=1S/C13H18BrNO2/c1-4-5-6-15-12-9(2)7-10(14)8-11(12)13(16)17-3/h7-8,15H,4-6H2,1-3H3