O1-ethyl O4-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] (E)-but-2-enedioate Openeye Name: O4-[2-(4-benzyloxyanilino)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-(4-phenylmethoxyanilino)ethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-oxo-2-(4-phenylmethoxyanilino)ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(4-benzoxyanilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H21NO6/c1-2-26-20(24)12-13-21(25)28-15-19(23)22-17-8-10-18(11-9-17)27-14-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,22,23)/b13-12+