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

Systemtic Name: ethyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-3-phenyl-propanoate CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-3-phenylpropanoate Traditional Name: 2-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-3-phenyl-propionic acid ethyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO4/c1-5-27-22(26)19(13-17-9-7-6-8-10-17)24-21(25)16(4)28-20-14(2)11-18(23)12-15(20)3/h6-12,16,19H,5,13H2,1-4H3,(H,24,25)