butyl (3S,5R)-3-(2-butyl-4-chloranyl-1H-imidazol-5-yl)-2-phenyl-1,2-oxazolidine-5-carboxylate

Systemtic Name: butyl (3S,5R)-3-(2-butyl-4-chloranyl-1H-imidazol-5-yl)-2-phenyl-1,2-oxazolidine-5-carboxylate Openeye Name: butyl (3S,5R)-3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-isoxazolidine-5-carboxylate CAS Name: (3S,5R)-3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-5-isoxazolidinecarboxylic acid butyl ester IUPAC Name: butyl (3S,5R)-3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-1,2-oxazolidine-5-carboxylate Traditional Name: (3S,5R)-3-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-phenyl-isoxazolidine-5-carboxylic acid butyl ester Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1)C2CC(ON2C3=CC=CC=C3)C(=O)OCCCC)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1)[C@@H]2C[C@@H](ON2C3=CC=CC=C3)C(=O)OCCCC)Cl

InChI

InChI=1S/C21H28ClN3O3/c1-3-5-12-18-23-19(20(22)24-18)16-14-17(21(26)27-13-6-4-2)28-25(16)15-10-8-7-9-11-15/h7-11,16-17H,3-6,12-14H2,1-2H3,(H,23,24)/t16-,17+/m0/s1