(phenylmethyl) 5-methanoyl-3-methyl-4-octyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-methanoyl-3-methyl-4-octyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-formyl-3-methyl-4-octyl-1H-pyrrole-2-carboxylate CAS Name: 5-formyl-3-methyl-4-octyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-formyl-3-methyl-4-octyl-1H-pyrrole-2-carboxylate Traditional Name: 5-formyl-3-methyl-4-octyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3/c1-3-4-5-6-7-11-14-19-17(2)21(23-20(19)15-24)22(25)26-16-18-12-9-8-10-13-18/h8-10,12-13,15,23H,3-7,11,14,16H2,1-2H3