ethyl 2-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(2-bromo-4-butan-2-ylphenoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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