O1-ethyl O4-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] (E)-but-2-enedioate Openeye Name: O4-[2-(2-benzylanilino)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: 4-O-[2-(2-benzylanilino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(2-benzylanilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC1=CC=CC=C1CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC1=CC=CC=C1CC2=CC=CC=C2

InChI

InChI=1S/C21H21NO5/c1-2-26-20(24)12-13-21(25)27-15-19(23)22-18-11-7-6-10-17(18)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,22,23)/b13-12+