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

Systemtic Name: (phenylmethyl) 5-methanoyl-3,4-dipropyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-formyl-3,4-dipropyl-1H-pyrrole-2-carboxylate CAS Name: 5-formyl-3,4-dipropyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-formyl-3,4-dipropyl-1H-pyrrole-2-carboxylate Traditional Name: 5-formyl-3,4-dipropyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1CCC)C(=O)OCC2=CC=CC=C2)C=O

Isomeric SMILES

CCCC1=C(NC(=C1CCC)C(=O)OCC2=CC=CC=C2)C=O

InChI

InChI=1S/C19H23NO3/c1-3-8-15-16(9-4-2)18(20-17(15)12-21)19(22)23-13-14-10-6-5-7-11-14/h5-7,10-12,20H,3-4,8-9,13H2,1-2H3