(4-oxidanylidene-4-phenyl-butyl) 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (4-oxo-4-phenyl-butyl) 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (4-keto-4-phenyl-butyl) ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCCCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO4/c1-12-17(14(3)21)13(2)20-18(12)19(23)24-11-7-10-16(22)15-8-5-4-6-9-15/h4-6,8-9,20H,7,10-11H2,1-3H3