tert-butyl 5-(cyclopenta-1,4-dien-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-(cyclopenta-1,4-dien-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-(cyclopenta-1,4-dien-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-(1-cyclopenta-1,4-dienylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(cyclopenta-1,4-dien-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(cyclopenta-1,4-dien-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OC(C)(C)C)CC2=CCC=C2

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OC(C)(C)C)CC2=CCC=C2

InChI

InChI=1S/C18H25NO2/c1-6-14-12(2)16(17(20)21-18(3,4)5)19-15(14)11-13-9-7-8-10-13/h7,9-10,19H,6,8,11H2,1-5H3