methyl 3-bromanyl-5-(butylamino)-4-methoxy-benzoate

Systemtic Name: methyl 3-bromanyl-5-(butylamino)-4-methoxy-benzoate Openeye Name: methyl 3-bromo-5-(butylamino)-4-methoxy-benzoate CAS Name: 3-bromo-5-(butylamino)-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-bromo-5-(butylamino)-4-methoxybenzoate Traditional Name: 3-bromo-5-(butylamino)-4-methoxy-benzoic acid methyl ester Formula: C13H18BrNO3 MolecularWeight: 316.19092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OC)Br)OC

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OC)Br)OC

InChI

InChI=1S/C13H18BrNO3/c1-4-5-6-15-11-8-9(13(16)18-3)7-10(14)12(11)17-2/h7-8,15H,4-6H2,1-3H3