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

Systemtic Name: (phenylmethyl) 3,4-dihexyl-5-methanoyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-formyl-3,4-dihexyl-1H-pyrrole-2-carboxylate CAS Name: 5-formyl-3,4-dihexyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-formyl-3,4-dihexyl-1H-pyrrole-2-carboxylate Traditional Name: 5-formyl-3,4-dihexyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(NC(=C1CCCCCC)C(=O)OCC2=CC=CC=C2)C=O

Isomeric SMILES

CCCCCCC1=C(NC(=C1CCCCCC)C(=O)OCC2=CC=CC=C2)C=O

InChI

InChI=1S/C25H35NO3/c1-3-5-7-12-16-21-22(17-13-8-6-4-2)24(26-23(21)18-27)25(28)29-19-20-14-10-9-11-15-20/h9-11,14-15,18,26H,3-8,12-13,16-17,19H2,1-2H3