tert-butyl 3-(phenylmethoxycarbonylamino)-4-pyridin-2-yl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-(phenylmethoxycarbonylamino)-4-pyridin-2-yl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-(benzyloxycarbonylamino)-4-(2-pyridyl)pyrrolidine-1-carboxylate CAS Name: 3-(phenylmethoxycarbonylamino)-4-(2-pyridinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(phenylmethoxycarbonylamino)-4-pyridin-2-ylpyrrolidine-1-carboxylate Traditional Name: 3-(benzyloxycarbonylamino)-4-(2-pyridyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C(C1)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C22H27N3O4/c1-22(2,3)29-21(27)25-13-17(18-11-7-8-12-23-18)19(14-25)24-20(26)28-15-16-9-5-4-6-10-16/h4-12,17,19H,13-15H2,1-3H3,(H,24,26)