diethyl (2S)-2-[[4-[2-(bromomethyl)cyclobutyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[2-(bromomethyl)cyclobutyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[2-(bromomethyl)cyclobutyl]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[2-(bromomethyl)cyclobutyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[2-(bromomethyl)cyclobutyl]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[2-(bromomethyl)cyclobutyl]benzoyl]amino]glutaric acid diethyl ester Formula: C21H28BrNO5 MolecularWeight: 454.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)C2CCC2CBr

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)C2CCC2CBr

InChI

InChI=1S/C21H28BrNO5/c1-3-27-19(24)12-11-18(21(26)28-4-2)23-20(25)15-7-5-14(6-8-15)17-10-9-16(17)13-22/h5-8,16-18H,3-4,9-13H2,1-2H3,(H,23,25)/t16?,17?,18-/m0/s1