methyl 2-[(2S,3R)-2-(4-bromophenyl)-3-butyl-4-oxidanylidene-azetidin-1-yl]ethanoate

Systemtic Name: methyl 2-[(2S,3R)-2-(4-bromophenyl)-3-butyl-4-oxidanylidene-azetidin-1-yl]ethanoate Openeye Name: methyl 2-[(2S,3R)-2-(4-bromophenyl)-3-butyl-4-oxo-azetidin-1-yl]acetate CAS Name: 2-[(2S,3R)-2-(4-bromophenyl)-3-butyl-4-oxo-1-azetidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,3R)-2-(4-bromophenyl)-3-butyl-4-oxoazetidin-1-yl]acetate Traditional Name: 2-[(2S,3R)-2-(4-bromophenyl)-3-butyl-4-keto-azetidin-1-yl]acetic acid methyl ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N(C1=O)CC(=O)OC)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCC[C@@H]1[C@H](N(C1=O)CC(=O)OC)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrNO3/c1-3-4-5-13-15(11-6-8-12(17)9-7-11)18(16(13)20)10-14(19)21-2/h6-9,13,15H,3-5,10H2,1-2H3/t13-,15-/m1/s1