(1-bromanyl-3-phenylazanyl-propan-2-yl) benzoate

Systemtic Name: (1-bromanyl-3-phenylazanyl-propan-2-yl) benzoate Openeye Name: [1-(anilinomethyl)-2-bromo-ethyl] benzoate CAS Name: benzoic acid (1-anilino-3-bromopropan-2-yl) ester IUPAC Name: (1-anilino-3-bromopropan-2-yl) benzoate Traditional Name: benzoic acid [1-(anilinomethyl)-2-bromo-ethyl] ester Formula: C16H16BrNO2 MolecularWeight: 334.20774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(CNC2=CC=CC=C2)CBr

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(CNC2=CC=CC=C2)CBr

InChI

InChI=1S/C16H16BrNO2/c17-11-15(12-18-14-9-5-2-6-10-14)20-16(19)13-7-3-1-4-8-13/h1-10,15,18H,11-12H2