tert-butyl 3-ethyl-5-methanoyl-4-phenyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3-ethyl-5-methanoyl-4-phenyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-ethyl-5-formyl-4-phenyl-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-5-formyl-4-phenyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-5-formyl-4-phenyl-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-5-formyl-4-phenyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C2=CC=CC=C2)C=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C2=CC=CC=C2)C=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H21NO3/c1-5-13-15(12-9-7-6-8-10-12)14(11-20)19-16(13)17(21)22-18(2,3)4/h6-11,19H,5H2,1-4H3