4-[7-[3-(4-carboxyphenyl)-2-phenyl-quinoxalin-6-yl]oxy-3-phenyl-quinoxalin-2-yl]benzoic acid

Systemtic Name: 4-[7-[3-(4-carboxyphenyl)-2-phenyl-quinoxalin-6-yl]oxy-3-phenyl-quinoxalin-2-yl]benzoic acid Openeye Name: 4-[7-[3-(4-carboxyphenyl)-2-phenyl-quinoxalin-6-yl]oxy-3-phenyl-quinoxalin-2-yl]benzoic acid CAS Name: 4-[7-[[3-(4-carboxyphenyl)-2-phenyl-6-quinoxalinyl]oxy]-3-phenyl-2-quinoxalinyl]benzoic acid IUPAC Name: 4-[7-[3-(4-carboxyphenyl)-2-phenylquinoxalin-6-yl]oxy-3-phenylquinoxalin-2-yl]benzoic acid Traditional Name: 4-[7-[3-(4-carboxyphenyl)-2-phenyl-quinoxalin-6-yl]oxy-3-phenyl-quinoxalin-2-yl]benzoic acid Formula: C42H26N4O5 MolecularWeight: 666.67964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC4=CC5=C(C=C4)N=C(C(=N5)C6=CC=C(C=C6)C(=O)O)C7=CC=CC=C7)N=C2C8=CC=C(C=C8)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC4=CC5=C(C=C4)N=C(C(=N5)C6=CC=C(C=C6)C(=O)O)C7=CC=CC=C7)N=C2C8=CC=C(C=C8)C(=O)O

InChI

InChI=1S/C42H26N4O5/c47-41(48)29-15-11-27(12-16-29)39-37(25-7-3-1-4-8-25)43-33-21-19-31(23-35(33)45-39)51-32-20-22-34-36(24-32)46-40(28-13-17-30(18-14-28)42(49)50)38(44-34)26-9-5-2-6-10-26/h1-24H,(H,47,48)(H,49,50)