(phenylmethyl) 4,5-dimethyl-3-(3-oxidanylidenepropyl)-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4,5-dimethyl-3-(3-oxidanylidenepropyl)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4,5-dimethyl-3-(3-oxopropyl)-1H-pyrrole-2-carboxylate CAS Name: 4,5-dimethyl-3-(3-oxopropyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4,5-dimethyl-3-(3-oxopropyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-(3-ketopropyl)-4,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC=O)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(NC(=C1CCC=O)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C17H19NO3/c1-12-13(2)18-16(15(12)9-6-10-19)17(20)21-11-14-7-4-3-5-8-14/h3-5,7-8,10,18H,6,9,11H2,1-2H3