4-(5-fluoranyl-2-phenylmethoxy-phenyl)carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid

Systemtic Name: 4-(5-fluoranyl-2-phenylmethoxy-phenyl)carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid Openeye Name: 4-(2-benzyloxy-5-fluoro-benzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 4-[(5-fluoro-2-phenylmethoxyphenyl)-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-(5-fluoro-2-phenylmethoxybenzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Traditional Name: 4-(2-benzoxy-5-fluoro-benzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C28H27FN2O7 MolecularWeight: 522.521583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=C(C=CC(=C3)F)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=C(C=CC(=C3)F)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27FN2O7/c29-20-10-13-24(37-17-18-5-2-1-3-6-18)22(15-20)27(34)38-25-7-4-14-31(28(35)36)16-23(25)30-26(33)19-8-11-21(32)12-9-19/h1-3,5-6,8-13,15,23,25,32H,4,7,14,16-17H2,(H,30,33)(H,35,36)