ethyl 3-[(5-bromanyl-2-propoxy-phenyl)carbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(5-bromanyl-2-propoxy-phenyl)carbonyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-(5-bromo-2-propoxy-benzoyl)amino]propanoate CAS Name: 3-[[(5-bromo-2-propoxyphenyl)-oxomethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-(5-bromo-2-propoxybenzoyl)amino]propanoate Traditional Name: 3-[benzyl-(5-bromo-2-propoxy-benzoyl)amino]propionic acid ethyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)N(CCC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)N(CCC(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C22H26BrNO4/c1-3-14-28-20-11-10-18(23)15-19(20)22(26)24(13-12-21(25)27-4-2)16-17-8-6-5-7-9-17/h5-11,15H,3-4,12-14,16H2,1-2H3