ethyl 2-[[[5-bromanyl-2-(3-chloranylpropanoylamino)phenyl]-phenyl-methyl]amino]ethanoate

Systemtic Name: ethyl 2-[[[5-bromanyl-2-(3-chloranylpropanoylamino)phenyl]-phenyl-methyl]amino]ethanoate Openeye Name: ethyl 2-[[[5-bromo-2-(3-chloropropanoylamino)phenyl]-phenyl-methyl]amino]acetate CAS Name: 2-[[[5-bromo-2-[(3-chloro-1-oxopropyl)amino]phenyl]-phenylmethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[[5-bromo-2-(3-chloropropanoylamino)phenyl]-phenylmethyl]amino]acetate Traditional Name: 2-[[[5-bromo-2-(3-chloropropanoylamino)phenyl]-phenyl-methyl]amino]acetic acid ethyl ester Formula: C20H22BrClN2O3 MolecularWeight: 453.75728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CCCl

Isomeric SMILES

CCOC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CCCl

InChI

InChI=1S/C20H22BrClN2O3/c1-2-27-19(26)13-23-20(14-6-4-3-5-7-14)16-12-15(21)8-9-17(16)24-18(25)10-11-22/h3-9,12,20,23H,2,10-11,13H2,1H3,(H,24,25)