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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO2/c1-9(2)5-6-16-13-10(3)7-11(15)8-12(13)14(17)18-4/h7-9,16H,5-6H2,1-4H3