(E)-3-[5-[2,6-bis(chloranyl)-4-(2-methoxy-2-oxidanylidene-ethyl)phenoxy]-2-(2-methylpropanoylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-[2,6-bis(chloranyl)-4-(2-methoxy-2-oxidanylidene-ethyl)phenoxy]-2-(2-methylpropanoylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-[2,6-dichloro-4-(2-methoxy-2-oxo-ethyl)phenoxy]-2-(2-methylpropanoylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-[2,6-dichloro-4-(2-methoxy-2-oxoethyl)phenoxy]-2-[(2-methyl-1-oxopropyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-[2,6-dichloro-4-(2-methoxy-2-oxoethyl)phenoxy]-2-(2-methylpropanoylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-[2,6-dichloro-4-(2-keto-2-methoxy-ethyl)phenoxy]-2-(isobutyrylamino)phenyl]acrylic acid Formula: C22H21Cl2NO6 MolecularWeight: 466.31124

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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)OC)Cl)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2NO6/c1-12(2)22(29)25-18-6-5-15(11-14(18)4-7-19(26)27)31-21-16(23)8-13(9-17(21)24)10-20(28)30-3/h4-9,11-12H,10H2,1-3H3,(H,25,29)(H,26,27)/b7-4+