tert-butyl 2-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]-4-pyridin-4-yl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]-4-pyridin-4-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]-4-(4-pyridyl)pyrrole-1-carboxylate CAS Name: 2-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]-4-pyridin-4-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]-4-pyridin-4-ylpyrrole-1-carboxylate Traditional Name: 2-[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]-4-(4-pyridyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C1=CC(=CN1C(=O)OC(C)(C)C)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)/C=C(\C)/C1=CC(=CN1C(=O)OC(C)(C)C)C2=CC=NC=C2

InChI

InChI=1S/C20H24N2O4/c1-6-25-18(23)11-14(2)17-12-16(15-7-9-21-10-8-15)13-22(17)19(24)26-20(3,4)5/h7-13H,6H2,1-5H3/b14-11+