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

Systemtic Name: (phenylmethyl) 3,4-bis(2-ethylhexyl)-5-methanoyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 3,4-bis(2-ethylhexyl)-5-formyl-1H-pyrrole-2-carboxylate CAS Name: 3,4-bis(2-ethylhexyl)-5-formyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,4-bis(2-ethylhexyl)-5-formyl-1H-pyrrole-2-carboxylate Traditional Name: 3,4-bis(2-ethylhexyl)-5-formyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C29H43NO3 MolecularWeight: 453.65662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(NC(=C1CC(CC)CCCC)C(=O)OCC2=CC=CC=C2)C=O

Isomeric SMILES

CCCCC(CC)CC1=C(NC(=C1CC(CC)CCCC)C(=O)OCC2=CC=CC=C2)C=O

InChI

InChI=1S/C29H43NO3/c1-5-9-14-22(7-3)18-25-26(19-23(8-4)15-10-6-2)28(30-27(25)20-31)29(32)33-21-24-16-12-11-13-17-24/h11-13,16-17,20,22-23,30H,5-10,14-15,18-19,21H2,1-4H3