ethyl 3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]propanoate CAS Name: 3-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]propanoate Traditional Name: 3-[benzyl-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]propionic acid ethyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)COC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)COC2=C(C=C(C=C2C)Br)C

InChI

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