2-[bis[4-[bis(phenylmethyl)amino]-2-methyl-phenyl]methyl]-2-(phenylmethyl)propanedioic acid

Systemtic Name: 2-[bis[4-[bis(phenylmethyl)amino]-2-methyl-phenyl]methyl]-2-(phenylmethyl)propanedioic acid Openeye Name: 2-benzyl-2-[bis[4-(dibenzylamino)-2-methyl-phenyl]methyl]propanedioic acid CAS Name: 2-[bis[4-[bis(phenylmethyl)amino]-2-methylphenyl]methyl]-2-(phenylmethyl)propanedioic acid IUPAC Name: 2-benzyl-2-[bis[4-(dibenzylamino)-2-methylphenyl]methyl]propanedioic acid Traditional Name: 2-benzyl-2-[bis[4-(dibenzylamino)-2-methyl-phenyl]methyl]malonic acid Formula: C53H50N2O4 MolecularWeight: 778.9751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(C4=C(C=C(C=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)C)C(CC7=CC=CC=C7)(C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(C4=C(C=C(C=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)C)C(CC7=CC=CC=C7)(C(=O)O)C(=O)O

InChI

InChI=1S/C53H50N2O4/c1-39-32-46(54(35-42-20-10-4-11-21-42)36-43-22-12-5-13-23-43)28-30-48(39)50(53(51(56)57,52(58)59)34-41-18-8-3-9-19-41)49-31-29-47(33-40(49)2)55(37-44-24-14-6-15-25-44)38-45-26-16-7-17-27-45/h3-33,50H,34-38H2,1-2H3,(H,56,57)(H,58,59)