ethyl 3-bromanyl-4-(4-methylpentanoylamino)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(4-methylpentanoylamino)benzoate Openeye Name: ethyl 3-bromo-4-(4-methylpentanoylamino)benzoate CAS Name: 3-bromo-4-[(4-methyl-1-oxopentyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(4-methylpentanoylamino)benzoate Traditional Name: 3-bromo-4-(4-methylpentanoylamino)benzoic acid ethyl ester Formula: C15H20BrNO3 MolecularWeight: 342.2282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCC(C)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCC(C)C)Br

InChI

InChI=1S/C15H20BrNO3/c1-4-20-15(19)11-6-7-13(12(16)9-11)17-14(18)8-5-10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18)