(3-bromanyl-4-phenylazanyl-butan-2-yl) benzoate

Systemtic Name: (3-bromanyl-4-phenylazanyl-butan-2-yl) benzoate Openeye Name: (3-anilino-2-bromo-1-methyl-propyl) benzoate CAS Name: benzoic acid (4-anilino-3-bromobutan-2-yl) ester IUPAC Name: (4-anilino-3-bromobutan-2-yl) benzoate Traditional Name: benzoic acid (3-anilino-2-bromo-1-methyl-propyl) ester Formula: C17H18BrNO2 MolecularWeight: 348.23432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CNC1=CC=CC=C1)Br)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(CNC1=CC=CC=C1)Br)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18BrNO2/c1-13(21-17(20)14-8-4-2-5-9-14)16(18)12-19-15-10-6-3-7-11-15/h2-11,13,16,19H,12H2,1H3