[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl] ester IUPAC Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O5/c22-16-5-3-14(4-6-16)18(25)7-8-20(27)29-13-19(26)15-11-17(23-12-15)21(28)24-9-1-2-10-24/h3-6,11-12,23H,1-2,7-10,13H2