tert-butyl (2S)-2-[(6-chloranyl-5-phenyl-pyridin-3-yl)oxymethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(6-chloranyl-5-phenyl-pyridin-3-yl)oxymethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(6-chloro-5-phenyl-3-pyridyl)oxymethyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(6-chloro-5-phenyl-3-pyridinyl)oxymethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(6-chloro-5-phenylpyridin-3-yl)oxymethyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(6-chloro-5-phenyl-3-pyridyl)oxymethyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1COC2=CN=C(C(=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1COC2=CN=C(C(=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O3/c1-21(2,3)27-20(25)24-11-7-10-16(24)14-26-17-12-18(19(22)23-13-17)15-8-5-4-6-9-15/h4-6,8-9,12-13,16H,7,10-11,14H2,1-3H3/t16-/m0/s1