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(phenylmethyl) 3,4-didecyl-5-methanoyl-1H-pyrrole-2-carboxylate

(phenylmethyl) 3,4-didecyl-5-methanoyl-1H-pyrrole-2-carboxylate

Systemtic Name:(phenylmethyl) 3,4-didecyl-5-methanoyl-1H-pyrrole-2-carboxylate
Openeye Name:benzyl 3,4-didecyl-5-formyl-1H-pyrrole-2-carboxylate
CAS Name:3,4-didecyl-5-formyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester
IUPAC Name:benzyl 3,4-didecyl-5-formyl-1H-pyrrole-2-carboxylate
Traditional Name:3,4-didecyl-5-formyl-1H-pyrrole-2-carboxylic acid benzyl ester
Formula: C33H51NO3
MolecularWeight: 509.76294
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(NC(=C1CCCCCCCCCC)C(=O)OCC2=CC=CC=C2)C=O


Isomeric SMILES

CCCCCCCCCCC1=C(NC(=C1CCCCCCCCCC)C(=O)OCC2=CC=CC=C2)C=O


InChI

InChI=1S/C33H51NO3/c1-3-5-7-9-11-13-15-20-24-29-30(25-21-16-14-12-10-8-6-4-2)32(34-31(29)26-35)33(36)37-27-28-22-18-17-19-23-28/h17-19,22-23,26,34H,3-16,20-21,24-25,27H2,1-2H3


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