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

Systemtic Name: 4-[[[3,5-bis[(4-carboxyphenyl)methylcarbamoyl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3,5-bis[(4-carboxyphenyl)methylcarbamoyl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3,5-bis[[(4-carboxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3,5-bis[(4-carboxyphenyl)methylcarbamoyl]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3,5-bis[(4-carboxybenzyl)carbamoyl]benzoyl]amino]methyl]benzoic acid Formula: C33H27N3O9 MolecularWeight: 609.58218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC(=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)C(=O)NCC4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC(=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)C(=O)NCC4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C33H27N3O9/c37-28(34-16-19-1-7-22(8-2-19)31(40)41)25-13-26(29(38)35-17-20-3-9-23(10-4-20)32(42)43)15-27(14-25)30(39)36-18-21-5-11-24(12-6-21)33(44)45/h1-15H,16-18H2,(H,34,37)(H,35,38)(H,36,39)(H,40,41)(H,42,43)(H,44,45)