2-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]ethyl benzoate

Systemtic Name: 2-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]ethyl benzoate Openeye Name: 2-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]ethyl benzoate CAS Name: benzoic acid 2-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]ethyl ester IUPAC Name: 2-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[3-(2-chloroacetyl)-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)C2=CC=CC=C2)C)C(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO3/c1-12-10-15(16(20)11-18)13(2)19(12)8-9-22-17(21)14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3