4-acetamido-2-[[4-[(5-acetamido-2-carboxy-phenyl)carbamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-acetamido-2-[[4-[(5-acetamido-2-carboxy-phenyl)carbamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 4-acetamido-2-[[4-[(5-acetamido-2-carboxy-phenyl)carbamoyl]benzoyl]amino]benzoic acid CAS Name: 4-acetamido-2-[[[4-[(5-acetamido-2-carboxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-acetamido-2-[[4-[(5-acetamido-2-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid Traditional Name: 4-acetamido-2-[[4-[(5-acetamido-2-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=CC(=C(C=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)NC(=O)C)C(=O)O

Isomeric SMILES

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

InChI

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