ethyl 3-[(3-bromanyl-4-hexoxy-phenyl)carbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(3-bromanyl-4-hexoxy-phenyl)carbonyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-(3-bromo-4-hexoxy-benzoyl)amino]propanoate CAS Name: 3-[[(3-bromo-4-hexoxyphenyl)-oxomethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-(3-bromo-4-hexoxybenzoyl)amino]propanoate Traditional Name: 3-[benzyl-(3-bromo-4-hexoxy-benzoyl)amino]propionic acid ethyl ester Formula: C25H32BrNO4 MolecularWeight: 490.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)N(CCC(=O)OCC)CC2=CC=CC=C2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)N(CCC(=O)OCC)CC2=CC=CC=C2)Br

InChI

InChI=1S/C25H32BrNO4/c1-3-5-6-10-17-31-23-14-13-21(18-22(23)26)25(29)27(16-15-24(28)30-4-2)19-20-11-8-7-9-12-20/h7-9,11-14,18H,3-6,10,15-17,19H2,1-2H3