2-bromanyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylcarbamoyl]benzoic acid

Systemtic Name: 2-bromanyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylcarbamoyl]benzoic acid Openeye Name: 2-bromo-4-[[2-(tert-butoxycarbonylamino)phenyl]methylcarbamoyl]benzoic acid CAS Name: 2-bromo-4-[[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methylamino]-oxomethyl]benzoic acid IUPAC Name: 2-bromo-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylcarbamoyl]benzoic acid Traditional Name: 2-bromo-4-[[2-(tert-butoxycarbonylamino)benzyl]carbamoyl]benzoic acid Formula: C20H21BrN2O5 MolecularWeight: 449.29514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)C(=O)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C20H21BrN2O5/c1-20(2,3)28-19(27)23-16-7-5-4-6-13(16)11-22-17(24)12-8-9-14(18(25)26)15(21)10-12/h4-10H,11H2,1-3H3,(H,22,24)(H,23,27)(H,25,26)