2-acetamido-4-[[3-[(3-acetamido-4-carboxy-phenyl)carbamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-acetamido-4-[[3-[(3-acetamido-4-carboxy-phenyl)carbamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-acetamido-4-[[3-[(3-acetamido-4-carboxy-phenyl)carbamoyl]benzoyl]amino]benzoic acid CAS Name: 2-acetamido-4-[[[3-[(3-acetamido-4-carboxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-acetamido-4-[[3-[(3-acetamido-4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid Traditional Name: 2-acetamido-4-[[3-[(3-acetamido-4-carboxy-phenyl)carbamoyl]benzoyl]amino]benzoic acid Formula: C26H22N4O8 MolecularWeight: 518.47488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)NC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)NC(=O)C)C(=O)O

InChI

InChI=1S/C26H22N4O8/c1-13(31)27-21-11-17(6-8-19(21)25(35)36)29-23(33)15-4-3-5-16(10-15)24(34)30-18-7-9-20(26(37)38)22(12-18)28-14(2)32/h3-12H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)(H,35,36)(H,37,38)