[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H18ClNO3 MolecularWeight: 319.78272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C17H18ClNO3/c1-11(2)16(12-5-7-13(18)8-6-12)17(21)22-10-15(20)14-4-3-9-19-14/h3-9,11,16,19H,10H2,1-2H3/t16-/m1/s1