O4-[(1R)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(1R)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(1R)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester O1-ethyl ester IUPAC Name: 4-O-[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(1R)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester O1-ethyl ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5/c1-3-27-18(24)11-12-19(25)28-20(15-7-5-4-6-8-15)21(26)23-16-10-9-14(2)17(22)13-16/h4-13,20H,3H2,1-2H3,(H,23,26)/b12-11+/t20-/m1/s1