(phenylmethyl) 4-ethyl-2-methanoyl-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: (phenylmethyl) 4-ethyl-2-methanoyl-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate Openeye Name: benzyl 4-ethyl-2-formyl-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate CAS Name: 4-ethyl-2-formyl-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-2-formyl-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-ethyl-2-formyl-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylic acid benzyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO4/c1-3-18-20(22(25)27-14-15-7-5-4-6-8-15)19(13-24)23-21(18)16-9-11-17(26-2)12-10-16/h4-13,23H,3,14H2,1-2H3