benzene; (4-methylphenyl)carbonyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: benzene; (4-methylphenyl)carbonyl 2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: benzene; (4-methylbenzoyl) 2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: benzene; 2,5-dimethyl-1H-pyrrole-3-carboxylic acid [(4-methylphenyl)-oxomethyl] ester IUPAC Name: benzene; (4-methylbenzoyl) 2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: benzene; 2,5-dimethyl-1H-pyrrole-3-carboxylic acid p-toluoyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(=O)C2=C(NC(=C2)C)C.C1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(=O)C2=C(NC(=C2)C)C.C1=CC=CC=C1

InChI

InChI=1S/C15H15NO3.C6H6/c1-9-4-6-12(7-5-9)14(17)19-15(18)13-8-10(2)16-11(13)3;1-2-4-6-5-3-1/h4-8,16H,1-3H3;1-6H