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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1)Br)C(=O)OC

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1)Br)C(=O)OC

InChI

InChI=1S/C13H18BrNO2/c1-9(2)6-7-15-12-5-4-10(14)8-11(12)13(16)17-3/h4-5,8-9,15H,6-7H2,1-3H3