phenacyl 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: phenacyl 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: phenacyl 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid phenacyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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