(3,3-dimethyl-2-oxidanylidene-butyl) 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C20H25NO3/c1-13-7-9-16(10-8-13)21-14(2)11-17(15(21)3)19(23)24-12-18(22)20(4,5)6/h7-11H,12H2,1-6H3