2-[[2-[bis(4-chlorophenyl)methyl]-4-[[3-[bis(4-chlorophenyl)methyl]-4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]amino]phenyl]amino]propanoic acid

Systemtic Name: 2-[[2-[bis(4-chlorophenyl)methyl]-4-[[3-[bis(4-chlorophenyl)methyl]-4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]amino]phenyl]amino]propanoic acid Openeye Name: 2-[2-[bis(4-chlorophenyl)methyl]-4-[3-[bis(4-chlorophenyl)methyl]-4-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]anilino]anilino]propanoic acid CAS Name: 2-[2-[bis(4-chlorophenyl)methyl]-4-[3-[bis(4-chlorophenyl)methyl]-4-[(1-hydroxy-1-oxopropan-2-yl)amino]anilino]anilino]propanoic acid IUPAC Name: 2-[2-[bis(4-chlorophenyl)methyl]-4-[3-[bis(4-chlorophenyl)methyl]-4-[(1-hydroxy-1-oxopropan-2-yl)amino]anilino]anilino]propanoic acid Traditional Name: 2-[2-[bis(4-chlorophenyl)methyl]-4-[3-[bis(4-chlorophenyl)methyl]-4-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]anilino]anilino]propionic acid Formula: C44H37Cl4N3O4 MolecularWeight: 813.59428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C=C(C=C1)NC2=CC(=C(C=C2)NC(C)C(=O)O)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC(C(=O)O)NC1=C(C=C(C=C1)NC2=CC(=C(C=C2)NC(C)C(=O)O)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C44H37Cl4N3O4/c1-25(43(52)53)49-39-21-19-35(23-37(39)41(27-3-11-31(45)12-4-27)28-5-13-32(46)14-6-28)51-36-20-22-40(50-26(2)44(54)55)38(24-36)42(29-7-15-33(47)16-8-29)30-9-17-34(48)18-10-30/h3-26,41-42,49-51H,1-2H3,(H,52,53)(H,54,55)