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

Systemtic Name: (phenylmethyl) 5-methanoyl-3,4-dipentyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-formyl-3,4-dipentyl-1H-pyrrole-2-carboxylate CAS Name: 5-formyl-3,4-dipentyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-formyl-3,4-dipentyl-1H-pyrrole-2-carboxylate Traditional Name: 3,4-diamyl-5-formyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=C1CCCCC)C(=O)OCC2=CC=CC=C2)C=O

Isomeric SMILES

CCCCCC1=C(NC(=C1CCCCC)C(=O)OCC2=CC=CC=C2)C=O

InChI

InChI=1S/C23H31NO3/c1-3-5-8-14-19-20(15-9-6-4-2)22(24-21(19)16-25)23(26)27-17-18-12-10-7-11-13-18/h7,10-13,16,24H,3-6,8-9,14-15,17H2,1-2H3