4-[[3,5-bis[(4-carboxyphenyl)carbamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3,5-bis[(4-carboxyphenyl)carbamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3,5-bis[(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid CAS Name: 4-[[[3,5-bis[(4-carboxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3,5-bis[(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid Traditional Name: 4-[[3,5-bis[(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid Formula: C30H21N3O9 MolecularWeight: 567.50244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C30H21N3O9/c34-25(31-22-7-1-16(2-8-22)28(37)38)19-13-20(26(35)32-23-9-3-17(4-10-23)29(39)40)15-21(14-19)27(36)33-24-11-5-18(6-12-24)30(41)42/h1-15H,(H,31,34)(H,32,35)(H,33,36)(H,37,38)(H,39,40)(H,41,42)