[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C)Cl

InChI

InChI=1S/C21H24ClNO5/c1-12-10-16(7-8-17(12)22)27-9-5-6-19(26)28-11-18(25)21-13(2)20(15(4)24)14(3)23-21/h7-8,10,23H,5-6,9,11H2,1-4H3