methyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

InChI

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