2-[2-[4-[3-bromanyl-4-(2-methylpropanoylamino)phenoxy]-3,5-bis(chloranyl)phenyl]ethanoylamino]propanoic acid

Systemtic Name: 2-[2-[4-[3-bromanyl-4-(2-methylpropanoylamino)phenoxy]-3,5-bis(chloranyl)phenyl]ethanoylamino]propanoic acid Openeye Name: 2-[[2-[4-[3-bromo-4-(2-methylpropanoylamino)phenoxy]-3,5-dichloro-phenyl]acetyl]amino]propanoic acid CAS Name: 2-[[2-[4-[3-bromo-4-[(2-methyl-1-oxopropyl)amino]phenoxy]-3,5-dichlorophenyl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-[4-[3-bromo-4-(2-methylpropanoylamino)phenoxy]-3,5-dichlorophenyl]acetyl]amino]propanoic acid Traditional Name: 2-[[2-[4-[3-bromo-4-(isobutyrylamino)phenoxy]-3,5-dichloro-phenyl]acetyl]amino]propionic acid Formula: C21H21BrCl2N2O5 MolecularWeight: 532.21184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)OC2=C(C=C(C=C2Cl)CC(=O)NC(C)C(=O)O)Cl)Br

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)OC2=C(C=C(C=C2Cl)CC(=O)NC(C)C(=O)O)Cl)Br

InChI

InChI=1S/C21H21BrCl2N2O5/c1-10(2)20(28)26-17-5-4-13(9-14(17)22)31-19-15(23)6-12(7-16(19)24)8-18(27)25-11(3)21(29)30/h4-7,9-11H,8H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)