ethanedioic acid; 3-[[[(4-methylphenyl)-phenyl-methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 3-[[[(4-methylphenyl)-phenyl-methyl]amino]methyl]benzenecarbonitrile Openeye Name: oxalic acid; 3-[[[phenyl(p-tolyl)methyl]amino]methyl]benzonitrile CAS Name: 3-[[[(4-methylphenyl)-phenylmethyl]amino]methyl]benzonitrile; oxalic acid IUPAC Name: 3-[[[(4-methylphenyl)-phenylmethyl]amino]methyl]benzonitrile; oxalic acid Traditional Name: oxalic acid; 3-[[[phenyl(p-tolyl)methyl]amino]methyl]benzonitrile Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NCC3=CC=CC(=C3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NCC3=CC=CC(=C3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H20N2.C2H2O4/c1-17-10-12-21(13-11-17)22(20-8-3-2-4-9-20)24-16-19-7-5-6-18(14-19)15-23;3-1(4)2(5)6/h2-14,22,24H,16H2,1H3;(H,3,4)(H,5,6)