4-[[[4-[[(4-carboxyphenyl)amino]-diethoxyphosphoryl-methyl]phenyl]-diethoxyphosphoryl-methyl]amino]benzoic acid

Systemtic Name: 4-[[[4-[[(4-carboxyphenyl)amino]-diethoxyphosphoryl-methyl]phenyl]-diethoxyphosphoryl-methyl]amino]benzoic acid Openeye Name: 4-[[[4-[(4-carboxyanilino)-diethoxyphosphoryl-methyl]phenyl]-diethoxyphosphoryl-methyl]amino]benzoic acid CAS Name: 4-[[[4-[(4-carboxyanilino)-diethoxyphosphorylmethyl]phenyl]-diethoxyphosphorylmethyl]amino]benzoic acid IUPAC Name: 4-[[[4-[(4-carboxyanilino)-diethoxyphosphorylmethyl]phenyl]-diethoxyphosphorylmethyl]amino]benzoic acid Traditional Name: 4-[[[4-[(4-carboxyanilino)-diethoxyphosphoryl-methyl]phenyl]-diethoxyphosphoryl-methyl]amino]benzoic acid Formula: C30H38N2O10P2 MolecularWeight: 648.577642

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=C(C=C1)C(NC2=CC=C(C=C2)C(=O)O)P(=O)(OCC)OCC)NC3=CC=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=C(C=C1)C(NC2=CC=C(C=C2)C(=O)O)P(=O)(OCC)OCC)NC3=CC=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C30H38N2O10P2/c1-5-39-43(37,40-6-2)27(31-25-17-13-23(14-18-25)29(33)34)21-9-11-22(12-10-21)28(44(38,41-7-3)42-8-4)32-26-19-15-24(16-20-26)30(35)36/h9-20,27-28,31-32H,5-8H2,1-4H3,(H,33,34)(H,35,36)