methyl (2S)-2-[2-[3,5-bis(chloranyl)-4-[4-(2-methylpropanoylamino)phenoxy]phenyl]ethanoylamino]propanoate

Systemtic Name: methyl (2S)-2-[2-[3,5-bis(chloranyl)-4-[4-(2-methylpropanoylamino)phenoxy]phenyl]ethanoylamino]propanoate Openeye Name: methyl (2S)-2-[[2-[3,5-dichloro-4-[4-(2-methylpropanoylamino)phenoxy]phenyl]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[3,5-dichloro-4-[4-[(2-methyl-1-oxopropyl)amino]phenoxy]phenyl]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[3,5-dichloro-4-[4-(2-methylpropanoylamino)phenoxy]phenyl]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[3,5-dichloro-4-[4-(isobutyrylamino)phenoxy]phenyl]acetyl]amino]propionic acid methyl ester Formula: C22H24Cl2N2O5 MolecularWeight: 467.34236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)CC1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)NC(=O)C(C)C)Cl

InChI

InChI=1S/C22H24Cl2N2O5/c1-12(2)21(28)26-15-5-7-16(8-6-15)31-20-17(23)9-14(10-18(20)24)11-19(27)25-13(3)22(29)30-4/h5-10,12-13H,11H2,1-4H3,(H,25,27)(H,26,28)/t13-/m0/s1