[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methylfuran-2-carboxylate

Systemtic Name: [(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methylfuran-2-carboxylate Openeye Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-methylfuran-2-carboxylate CAS Name: 3-methyl-2-furancarboxylic acid [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-methylfuran-2-carboxylate Traditional Name: 3-methylfuran-2-carboxylic acid [(1R)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=C(C=CO3)C

InChI

InChI=1S/C22H21NO4/c1-14-9-10-15(2)18(13-14)23-21(24)20(17-7-5-4-6-8-17)27-22(25)19-16(3)11-12-26-19/h4-13,20H,1-3H3,(H,23,24)/t20-/m1/s1