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

Systemtic Name: methyl 3-bromanyl-5-methyl-2-(pentylamino)benzoate Openeye Name: methyl 3-bromo-5-methyl-2-(pentylamino)benzoate CAS Name: 3-bromo-5-methyl-2-(pentylamino)benzoic acid methyl ester IUPAC Name: methyl 3-bromo-5-methyl-2-(pentylamino)benzoate Traditional Name: 2-(amylamino)-3-bromo-5-methyl-benzoic acid methyl ester Formula: C14H20BrNO2 MolecularWeight: 314.2181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C=C1C(=O)OC)C)Br

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1C(=O)OC)C)Br

InChI

InChI=1S/C14H20BrNO2/c1-4-5-6-7-16-13-11(14(17)18-3)8-10(2)9-12(13)15/h8-9,16H,4-7H2,1-3H3