dimethyl 2-[2-[2-(4-butylfuran-2-yl)carbonyl-5-chloranyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-(4-butylfuran-2-yl)carbonyl-5-chloranyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(4-butylfuran-2-carbonyl)-5-chloro-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(4-butyl-2-furanyl)-oxomethyl]-5-chloro-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(4-butylfuran-2-carbonyl)-5-chloropyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(4-butyl-2-furoyl)-5-chloro-pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C20H24ClNO6 MolecularWeight: 409.86066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=COC(=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CCCCC1=COC(=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C20H24ClNO6/c1-4-5-6-13-11-16(28-12-13)18(23)15-7-8-17(21)22(15)10-9-14(19(24)26-2)20(25)27-3/h7-8,11-12,14H,4-6,9-10H2,1-3H3