[(2S,4R)-5-bromanyl-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] benzoate

Systemtic Name: [(2S,4R)-5-bromanyl-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] benzoate Openeye Name: [(2S,4R)-5-bromo-2-(tert-butoxycarbonylamino)-4-methyl-pentyl] benzoate CAS Name: benzoic acid [(2S,4R)-5-bromo-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl] ester IUPAC Name: [(2S,4R)-5-bromo-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] benzoate Traditional Name: benzoic acid [(2S,4R)-5-bromo-2-(tert-butoxycarbonylamino)-4-methyl-pentyl] ester Formula: C18H26BrNO4 MolecularWeight: 400.30734

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(COC(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C)CBr

Isomeric SMILES

C[C@H](C[C@@H](COC(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C)CBr

InChI

InChI=1S/C18H26BrNO4/c1-13(11-19)10-15(20-17(22)24-18(2,3)4)12-23-16(21)14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,20,22)/t13-,15+/m1/s1