tert-butyl 1,4-dimethyl-3-pyridin-3-yl-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 1,4-dimethyl-3-pyridin-3-yl-pyrrole-2-carboxylate Openeye Name: tert-butyl 1,4-dimethyl-3-(3-pyridyl)pyrrole-2-carboxylate CAS Name: 1,4-dimethyl-3-(3-pyridinyl)-2-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1,4-dimethyl-3-pyridin-3-ylpyrrole-2-carboxylate Traditional Name: 1,4-dimethyl-3-(3-pyridyl)pyrrole-2-carboxylic acid tert-butyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C2=CN=CC=C2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CN(C(=C1C2=CN=CC=C2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C16H20N2O2/c1-11-10-18(5)14(15(19)20-16(2,3)4)13(11)12-7-6-8-17-9-12/h6-10H,1-5H3