ethyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4/c1-4-26-21(25)18(12-16-8-6-5-7-9-16)23-19(24)13-27-20-14(2)10-17(22)11-15(20)3/h5-11,18H,4,12-13H2,1-3H3,(H,23,24)