ethyl 2-[5-(3-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]propanoate

Systemtic Name: ethyl 2-[5-(3-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]propanoate Openeye Name: ethyl 2-[5-(3-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]propanoate CAS Name: 2-[5-[(3-chlorophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(3-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoate Traditional Name: 2-[5-(3-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]propionic acid ethyl ester Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=CC(=C(N1C)C(=O)C2=CC(=CC=C2)Cl)C

Isomeric SMILES

CCOC(=O)C(C)C1=CC(=C(N1C)C(=O)C2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C18H20ClNO3/c1-5-23-18(22)12(3)15-9-11(2)16(20(15)4)17(21)13-7-6-8-14(19)10-13/h6-10,12H,5H2,1-4H3