dimethyl 2-[2-[2-chloranyl-5-(phenylcarbonyl)pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-chloranyl-5-(phenylcarbonyl)pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-(2-benzoyl-5-chloro-pyrrol-1-yl)ethyl]propanedioate CAS Name: 2-[2-(2-benzoyl-5-chloro-1-pyrrolyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(2-benzoyl-5-chloropyrrol-1-yl)ethyl]propanedioate Traditional Name: 2-[2-(2-benzoyl-5-chloro-pyrrol-1-yl)ethyl]malonic acid dimethyl ester Formula: C18H18ClNO5 MolecularWeight: 363.79222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=CC=C1Cl)C(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C(=CC=C1Cl)C(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H18ClNO5/c1-24-17(22)13(18(23)25-2)10-11-20-14(8-9-15(20)19)16(21)12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3