2-bromanyl-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylcarbamoyl]benzoic acid

Systemtic Name: 2-bromanyl-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylcarbamoyl]benzoic acid Openeye Name: 2-bromo-4-[[3-(tert-butoxycarbonylamino)phenyl]methylcarbamoyl]benzoic acid CAS Name: 2-bromo-4-[[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methylamino]-oxomethyl]benzoic acid IUPAC Name: 2-bromo-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylcarbamoyl]benzoic acid Traditional Name: 2-bromo-4-[[3-(tert-butoxycarbonylamino)benzyl]carbamoyl]benzoic acid Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)C(=O)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)C(=O)O)Br

InChI

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