[(E)-[azanyl-[4-[[2-ethoxy-1-[5-ethoxy-2-fluoranyl-4-(2-hydroxyethyloxy)phenyl]-2-oxidanylidene-ethyl]amino]phenyl]methylidene]amino] benzoate

Systemtic Name: [(E)-[azanyl-[4-[[2-ethoxy-1-[5-ethoxy-2-fluoranyl-4-(2-hydroxyethyloxy)phenyl]-2-oxidanylidene-ethyl]amino]phenyl]methylidene]amino] benzoate Openeye Name: [(E)-[amino-[4-[[2-ethoxy-1-[5-ethoxy-2-fluoro-4-(2-hydroxyethoxy)phenyl]-2-oxo-ethyl]amino]phenyl]methylene]amino] benzoate CAS Name: benzoic acid [(E)-[amino-[4-[[2-ethoxy-1-[5-ethoxy-2-fluoro-4-(2-hydroxyethoxy)phenyl]-2-oxoethyl]amino]phenyl]methylidene]amino] ester IUPAC Name: [(E)-[amino-[4-[[2-ethoxy-1-[5-ethoxy-2-fluoro-4-(2-hydroxyethoxy)phenyl]-2-oxoethyl]amino]phenyl]methylidene]amino] benzoate Traditional Name: benzoic acid [(E)-[amino-[4-[[2-ethoxy-1-[5-ethoxy-2-fluoro-4-(2-hydroxyethoxy)phenyl]-2-keto-ethyl]amino]phenyl]methylene]amino] ester Formula: C28H30FN3O7 MolecularWeight: 539.552103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(C(=O)OCC)NC2=CC=C(C=C2)C(=NOC(=O)C3=CC=CC=C3)N)F)OCCO

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(C(=O)OCC)NC2=CC=C(C=C2)/C(=N\OC(=O)C3=CC=CC=C3)/N)F)OCCO

InChI

InChI=1S/C28H30FN3O7/c1-3-36-23-16-21(22(29)17-24(23)38-15-14-33)25(28(35)37-4-2)31-20-12-10-18(11-13-20)26(30)32-39-27(34)19-8-6-5-7-9-19/h5-13,16-17,25,31,33H,3-4,14-15H2,1-2H3,(H2,30,32)