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

Systemtic Name: (phenylmethyl) 5-methanoyl-3,4-bis(phenylmethyl)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 3,4-dibenzyl-5-formyl-1H-pyrrole-2-carboxylate CAS Name: 5-formyl-3,4-bis(phenylmethyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,4-dibenzyl-5-formyl-1H-pyrrole-2-carboxylate Traditional Name: 3,4-dibenzyl-5-formyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C27H23NO3 MolecularWeight: 409.47642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(NC(=C2CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C=O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(NC(=C2CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C=O

InChI

InChI=1S/C27H23NO3/c29-18-25-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)26(28-25)27(30)31-19-22-14-8-3-9-15-22/h1-15,18,28H,16-17,19H2