tert-butyl (2S)-2-[[6-chloranyl-5-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl]oxymethyl]azetidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[6-chloranyl-5-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl]oxymethyl]azetidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[6-chloro-5-[(E)-2-(4-pyridyl)vinyl]-3-pyridyl]oxymethyl]azetidine-1-carboxylate CAS Name: (2S)-2-[[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxymethyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl]oxymethyl]azetidine-1-carboxylate Traditional Name: (2S)-2-[[6-chloro-5-[(E)-2-(4-pyridyl)vinyl]-3-pyridyl]oxymethyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC1COC2=CN=C(C(=C2)C=CC3=CC=NC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H]1COC2=CN=C(C(=C2)/C=C/C3=CC=NC=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-21(2,3)28-20(26)25-11-8-17(25)14-27-18-12-16(19(22)24-13-18)5-4-15-6-9-23-10-7-15/h4-7,9-10,12-13,17H,8,11,14H2,1-3H3/b5-4+/t17-/m0/s1