(2S)-4-bromanyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-pyrrolidin-1-yl-2H-furan-5-one

Systemtic Name: (2S)-4-bromanyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-pyrrolidin-1-yl-2H-furan-5-one Openeye Name: (2S)-4-bromo-2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-pyrrolidin-1-yl-2H-furan-5-one CAS Name: (2S)-4-bromo-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(1-pyrrolidinyl)-2H-furan-5-one IUPAC Name: (2S)-4-bromo-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-pyrrolidin-1-yl-2H-furan-5-one Traditional Name: (2S)-4-bromo-2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-pyrrolidino-2H-furan-5-one Formula: C18H28BrNO3 MolecularWeight: 386.32382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2C(=C(C(=O)O2)Br)N3CCCC3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]2C(=C(C(=O)O2)Br)N3CCCC3)C(C)C

InChI

InChI=1S/C18H28BrNO3/c1-11(2)13-7-6-12(3)10-14(13)22-18-16(15(19)17(21)23-18)20-8-4-5-9-20/h11-14,18H,4-10H2,1-3H3/t12-,13+,14-,18+/m1/s1