2-(4-azanylphenoxy)-5-[[4-(4-azanylphenoxy)-3-carboxy-phenyl]methyl]benzoic acid

Systemtic Name: 2-(4-azanylphenoxy)-5-[[4-(4-azanylphenoxy)-3-carboxy-phenyl]methyl]benzoic acid Openeye Name: 2-(4-aminophenoxy)-5-[[4-(4-aminophenoxy)-3-carboxy-phenyl]methyl]benzoic acid CAS Name: 2-(4-aminophenoxy)-5-[[4-(4-aminophenoxy)-3-carboxyphenyl]methyl]benzoic acid IUPAC Name: 2-(4-aminophenoxy)-5-[[4-(4-aminophenoxy)-3-carboxyphenyl]methyl]benzoic acid Traditional Name: 2-(4-aminophenoxy)-5-[4-(4-aminophenoxy)-3-carboxy-benzyl]benzoic acid Formula: C27H22N2O6 MolecularWeight: 470.47338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)OC2=C(C=C(C=C2)CC3=CC(=C(C=C3)OC4=CC=C(C=C4)N)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1N)OC2=C(C=C(C=C2)CC3=CC(=C(C=C3)OC4=CC=C(C=C4)N)C(=O)O)C(=O)O

InChI

InChI=1S/C27H22N2O6/c28-18-3-7-20(8-4-18)34-24-11-1-16(14-22(24)26(30)31)13-17-2-12-25(23(15-17)27(32)33)35-21-9-5-19(29)6-10-21/h1-12,14-15H,13,28-29H2,(H,30,31)(H,32,33)