tert-butyl 2-(2-azanyl-1-oxidanyl-ethyl)-4-(3-phenylphenoxy)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-azanyl-1-oxidanyl-ethyl)-4-(3-phenylphenoxy)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-amino-1-hydroxy-ethyl)-4-(3-phenylphenoxy)pyrrolidine-1-carboxylate CAS Name: 2-(2-amino-1-hydroxyethyl)-4-(3-phenylphenoxy)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-amino-1-hydroxyethyl)-4-(3-phenylphenoxy)pyrrolidine-1-carboxylate Traditional Name: 2-(2-amino-1-hydroxy-ethyl)-4-(3-phenylphenoxy)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(CN)O)OC2=CC=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(CN)O)OC2=CC=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c1-23(2,3)29-22(27)25-15-19(13-20(25)21(26)14-24)28-18-11-7-10-17(12-18)16-8-5-4-6-9-16/h4-12,19-21,26H,13-15,24H2,1-3H3