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

Systemtic Name: 2,2-bis[[(4-methylphenyl)amino]-phenyl-methyl]propanedioic acid Openeye Name: 2,2-bis[(4-methylanilino)-phenyl-methyl]propanedioic acid CAS Name: 2,2-bis[(4-methylanilino)-phenylmethyl]propanedioic acid IUPAC Name: 2,2-bis[(4-methylanilino)-phenylmethyl]propanedioic acid Traditional Name: 2,2-bis[phenyl(p-toluidino)methyl]malonic acid Formula: C31H30N2O4 MolecularWeight: 494.5809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C(C(C3=CC=CC=C3)NC4=CC=C(C=C4)C)(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C(C(C3=CC=CC=C3)NC4=CC=C(C=C4)C)(C(=O)O)C(=O)O

InChI

InChI=1S/C31H30N2O4/c1-21-13-17-25(18-14-21)32-27(23-9-5-3-6-10-23)31(29(34)35,30(36)37)28(24-11-7-4-8-12-24)33-26-19-15-22(2)16-20-26/h3-20,27-28,32-33H,1-2H3,(H,34,35)(H,36,37)