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

Systemtic Name: (phenylmethyl) 3,5-dimethyl-4-octyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 3,5-dimethyl-4-octyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-octyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,5-dimethyl-4-octyl-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-octyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C22H31NO2/c1-4-5-6-7-8-12-15-20-17(2)21(23-18(20)3)22(24)25-16-19-13-10-9-11-14-19/h9-11,13-14,23H,4-8,12,15-16H2,1-3H3