tert-butyl 2-azanyl-4,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Openeye Name: tert-butyl 2-amino-4,5-dimethyl-1-(3-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 2-amino-4,5-dimethyl-1-(3-pyridinylmethyl)-3-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2-amino-4,5-dimethyl-1-(3-pyridylmethyl)pyrrole-3-carboxylic acid tert-butyl ester Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)OC(C)(C)C)N)CC2=CN=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=C1C(=O)OC(C)(C)C)N)CC2=CN=CC=C2)C

InChI

InChI=1S/C17H23N3O2/c1-11-12(2)20(10-13-7-6-8-19-9-13)15(18)14(11)16(21)22-17(3,4)5/h6-9H,10,18H2,1-5H3