O4-[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester O1-ethyl ester IUPAC Name: 4-O-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(1R)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester O1-ethyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)O[C@H](C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C22H23NO5/c1-4-27-19(24)12-13-20(25)28-21(17-8-6-5-7-9-17)22(26)23-18-14-15(2)10-11-16(18)3/h5-14,21H,4H2,1-3H3,(H,23,26)/b13-12+/t21-/m1/s1