[3-(2-azanylethyl)-4-bromanyl-phenyl] benzoate

Systemtic Name: [3-(2-azanylethyl)-4-bromanyl-phenyl] benzoate Openeye Name: [3-(2-aminoethyl)-4-bromo-phenyl] benzoate CAS Name: benzoic acid [3-(2-aminoethyl)-4-bromophenyl] ester IUPAC Name: [3-(2-aminoethyl)-4-bromophenyl] benzoate Traditional Name: benzoic acid [3-(2-aminoethyl)-4-bromo-phenyl] ester Formula: C15H14BrNO2 MolecularWeight: 320.18116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)Br)CCN

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)Br)CCN

InChI

InChI=1S/C15H14BrNO2/c16-14-7-6-13(10-12(14)8-9-17)19-15(18)11-4-2-1-3-5-11/h1-7,10H,8-9,17H2