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

Systemtic Name: methyl 2-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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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)OC)Br

Isomeric SMILES

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

InChI

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