2-[4-(2,2-dimethylpropylcarbamoyl)-2-phenylmethoxycarbonyl-phenyl]benzoic acid

Systemtic Name: 2-[4-(2,2-dimethylpropylcarbamoyl)-2-phenylmethoxycarbonyl-phenyl]benzoic acid Openeye Name: 2-[2-benzyloxycarbonyl-4-(2,2-dimethylpropylcarbamoyl)phenyl]benzoic acid CAS Name: 2-[4-[(2,2-dimethylpropylamino)-oxomethyl]-2-phenylmethoxycarbonylphenyl]benzoic acid IUPAC Name: 2-[4-(2,2-dimethylpropylcarbamoyl)-2-phenylmethoxycarbonylphenyl]benzoic acid Traditional Name: 2-[2-carbobenzoxy-4-(neopentylcarbamoyl)phenyl]benzoic acid Formula: C27H27NO5 MolecularWeight: 445.50698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27NO5/c1-27(2,3)17-28-24(29)19-13-14-21(20-11-7-8-12-22(20)25(30)31)23(15-19)26(32)33-16-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,28,29)(H,30,31)