tert-butyl 3-[4-(6-azanylpyridin-2-yl)-3-methoxy-phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-(6-azanylpyridin-2-yl)-3-methoxy-phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(6-amino-2-pyridyl)-3-methoxy-phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(6-aminopyridin-2-yl)-3-methoxyphenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-(6-amino-2-pyridyl)-3-methoxy-phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC(=C(C=C2)C3=NC(=CC=C3)N)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC(=C(C=C2)C3=NC(=CC=C3)N)OC

InChI

InChI=1S/C21H27N3O4/c1-21(2,3)28-20(25)24-11-10-15(13-24)27-14-8-9-16(18(12-14)26-4)17-6-5-7-19(22)23-17/h5-9,12,15H,10-11,13H2,1-4H3,(H2,22,23)