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

Systemtic Name: (phenylmethyl) 5-(3-aminocarbonylphenyl)-4-ethyl-2-methanoyl-1H-pyrrole-3-carboxylate Openeye Name: benzyl 5-(3-carbamoylphenyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate CAS Name: 5-(3-carbamoylphenyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(3-carbamoylphenyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(3-carbamoylphenyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylic acid benzyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4/c1-2-17-19(22(27)28-13-14-7-4-3-5-8-14)18(12-25)24-20(17)15-9-6-10-16(11-15)21(23)26/h3-12,24H,2,13H2,1H3,(H2,23,26)