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

Systemtic Name: 2-[3-(4-chlorophenyl)carbonyl-2,5-dimethyl-pyrrol-1-yl]ethyl ethanoate Openeye Name: 2-[3-(4-chlorobenzoyl)-2,5-dimethyl-pyrrol-1-yl]ethyl acetate CAS Name: acetic acid 2-[3-[(4-chlorophenyl)-oxomethyl]-2,5-dimethyl-1-pyrrolyl]ethyl ester IUPAC Name: 2-[3-(4-chlorobenzoyl)-2,5-dimethylpyrrol-1-yl]ethyl acetate Traditional Name: acetic acid 2-[3-(4-chlorobenzoyl)-2,5-dimethyl-pyrrol-1-yl]ethyl ester Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC(=O)C)C)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(N1CCOC(=O)C)C)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClNO3/c1-11-10-16(12(2)19(11)8-9-22-13(3)20)17(21)14-4-6-15(18)7-5-14/h4-7,10H,8-9H2,1-3H3