ethyl 3-bromanyl-4-(1-pyridin-3-ylethylamino)benzoate

Systemtic Name: ethyl 3-bromanyl-4-(1-pyridin-3-ylethylamino)benzoate Openeye Name: ethyl 3-bromo-4-[1-(3-pyridyl)ethylamino]benzoate CAS Name: 3-bromo-4-[1-(3-pyridinyl)ethylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(1-pyridin-3-ylethylamino)benzoate Traditional Name: 3-bromo-4-[1-(3-pyridyl)ethylamino]benzoic acid ethyl ester Formula: C16H17BrN2O2 MolecularWeight: 349.22238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(C)C2=CN=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(C)C2=CN=CC=C2)Br

InChI

InChI=1S/C16H17BrN2O2/c1-3-21-16(20)12-6-7-15(14(17)9-12)19-11(2)13-5-4-8-18-10-13/h4-11,19H,3H2,1-2H3