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

Systemtic Name: tert-butyl 2-[[6-chloranyl-5-[(E)-2-pyridin-3-ylethenyl]pyridin-3-yl]oxymethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[6-chloro-5-[(E)-2-(3-pyridyl)vinyl]-3-pyridyl]oxymethyl]pyrrolidine-1-carboxylate CAS Name: 2-[[6-chloro-5-[(E)-2-(3-pyridinyl)ethenyl]-3-pyridinyl]oxymethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-chloro-5-[(E)-2-pyridin-3-ylethenyl]pyridin-3-yl]oxymethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[6-chloro-5-[(E)-2-(3-pyridyl)vinyl]-3-pyridyl]oxymethyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1COC2=CN=C(C(=C2)C=CC3=CN=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-22(2,3)29-21(27)26-11-5-7-18(26)15-28-19-12-17(20(23)25-14-19)9-8-16-6-4-10-24-13-16/h4,6,8-10,12-14,18H,5,7,11,15H2,1-3H3/b9-8+