ethyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(5-bromo-2-chloro-benzoyl)-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[(5-bromo-2-chlorophenyl)-oxomethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-chlorobenzoyl)-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(5-bromo-2-chloro-benzoyl)-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C22H18BrClN2O3 MolecularWeight: 473.74692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C22H18BrClN2O3/c1-2-29-22(28)16-3-6-18(7-4-16)26(14-15-9-11-25-12-10-15)21(27)19-13-17(23)5-8-20(19)24/h3-13H,2,14H2,1H3