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

Systemtic Name: ethyl 3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyl]amino]propanoate CAS Name: 3-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]amino]propanoate Traditional Name: 3-[benzyl-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyl]amino]propionic acid ethyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)C(C)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=O)C(C)OC2=C(C=C(C=C2C)Br)C

InChI

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