phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid phenacyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19NO3/c1-15-8-9-16(2)22(15)19-12-10-18(11-13-19)21(24)25-14-20(23)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3