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

Systemtic Name: ethyl 3-[(3-bromanyl-4-butoxy-phenyl)carbonyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-(3-bromo-4-butoxy-benzoyl)amino]propanoate CAS Name: 3-[[(3-bromo-4-butoxyphenyl)-oxomethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-(3-bromo-4-butoxybenzoyl)amino]propanoate Traditional Name: 3-[benzyl-(3-bromo-4-butoxy-benzoyl)amino]propionic acid ethyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N(CCC(=O)OCC)CC2=CC=CC=C2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N(CCC(=O)OCC)CC2=CC=CC=C2)Br

InChI

InChI=1S/C23H28BrNO4/c1-3-5-15-29-21-12-11-19(16-20(21)24)23(27)25(14-13-22(26)28-4-2)17-18-9-7-6-8-10-18/h6-12,16H,3-5,13-15,17H2,1-2H3