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

Systemtic Name: O1-ethyl O4-[(1R)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[(1R)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: 1-O-ethyl 4-O-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[(1R)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6/c1-4-28-19(24)12-13-20(25)29-21(16-8-6-5-7-9-16)22(26)23-17-14-15(2)10-11-18(17)27-3/h5-14,21H,4H2,1-3H3,(H,23,26)/b13-12+/t21-/m1/s1