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

Systemtic Name: methyl 5-bromanyl-3-methyl-2-(pentylamino)benzoate Openeye Name: methyl 5-bromo-3-methyl-2-(pentylamino)benzoate CAS Name: 5-bromo-3-methyl-2-(pentylamino)benzoic acid methyl ester IUPAC Name: methyl 5-bromo-3-methyl-2-(pentylamino)benzoate Traditional Name: 2-(amylamino)-5-bromo-3-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)Br)C

Isomeric SMILES

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

InChI

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