4-[[4-[4-[(4-carboxyphenyl)-phenyl-amino]-2-methyl-phenyl]-3-methyl-phenyl]-phenyl-amino]benzoic acid

Systemtic Name: 4-[[4-[4-[(4-carboxyphenyl)-phenyl-amino]-2-methyl-phenyl]-3-methyl-phenyl]-phenyl-amino]benzoic acid Openeye Name: 4-(N-[4-[4-(N-(4-carboxyphenyl)anilino)-2-methyl-phenyl]-3-methyl-phenyl]anilino)benzoic acid CAS Name: 4-(N-[4-[4-(N-(4-carboxyphenyl)anilino)-2-methylphenyl]-3-methylphenyl]anilino)benzoic acid IUPAC Name: 4-(N-[4-[4-(N-(4-carboxyphenyl)anilino)-2-methylphenyl]-3-methylphenyl]anilino)benzoic acid Traditional Name: 4-(N-[4-[4-(N-(4-carboxyphenyl)anilino)-2-methyl-phenyl]-3-methyl-phenyl]anilino)benzoic acid Formula: C40H32N2O4 MolecularWeight: 604.69308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)C4=C(C=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C=C6)C(=O)O)C

Isomeric SMILES

CC1=C(C=CC(=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)C4=C(C=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C=C6)C(=O)O)C

InChI

InChI=1S/C40H32N2O4/c1-27-25-35(41(31-9-5-3-6-10-31)33-17-13-29(14-18-33)39(43)44)21-23-37(27)38-24-22-36(26-28(38)2)42(32-11-7-4-8-12-32)34-19-15-30(16-20-34)40(45)46/h3-26H,1-2H3,(H,43,44)(H,45,46)