3-azanyl-6-(4-azanyl-2-carboxylato-phenyl)-2-[6-(4-phenylphenoxy)hexyl]benzoate

Systemtic Name: 3-azanyl-6-(4-azanyl-2-carboxylato-phenyl)-2-[6-(4-phenylphenoxy)hexyl]benzoate Openeye Name: 3-amino-6-(4-amino-2-carboxylato-phenyl)-2-[6-(4-phenylphenoxy)hexyl]benzoate CAS Name: 3-amino-6-(4-amino-2-carboxylatophenyl)-2-[6-(4-phenylphenoxy)hexyl]benzoate IUPAC Name: 3-amino-6-(4-amino-2-carboxylatophenyl)-2-[6-(4-phenylphenoxy)hexyl]benzoate Traditional Name: 3-amino-6-(4-amino-2-carboxylato-phenyl)-2-[6-(4-phenylphenoxy)hexyl]benzoate Formula: C32H30N2O5-2 MolecularWeight: 522.591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCC3=C(C=CC(=C3C(=O)[O-])C4=C(C=C(C=C4)N)C(=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCC3=C(C=CC(=C3C(=O)[O-])C4=C(C=C(C=C4)N)C(=O)[O-])N

InChI

InChI=1S/C32H32N2O5/c33-23-13-16-25(28(20-23)31(35)36)26-17-18-29(34)27(30(26)32(37)38)10-6-1-2-7-19-39-24-14-11-22(12-15-24)21-8-4-3-5-9-21/h3-5,8-9,11-18,20H,1-2,6-7,10,19,33-34H2,(H,35,36)(H,37,38)/p-2