ethyl 3-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]amino]propanoate CAS Name: 3-[[2-(2-bromo-4-butan-2-ylphenoxy)-1-oxoethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]propanoate Traditional Name: 3-[benzyl-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]amino]propionic acid ethyl ester Formula: C24H30BrNO4 MolecularWeight: 476.4033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrNO4/c1-4-18(3)20-11-12-22(21(25)15-20)30-17-23(27)26(14-13-24(28)29-5-2)16-19-9-7-6-8-10-19/h6-12,15,18H,4-5,13-14,16-17H2,1-3H3