2-(2-methylphenyl)-4-[[(phenylmethyl)-pyrazin-2-yl-amino]methyl]benzoic acid

Systemtic Name: 2-(2-methylphenyl)-4-[[(phenylmethyl)-pyrazin-2-yl-amino]methyl]benzoic acid Openeye Name: 4-[[benzyl(pyrazin-2-yl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 2-(2-methylphenyl)-4-[[(phenylmethyl)-(2-pyrazinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[benzyl(pyrazin-2-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[benzyl(pyrazin-2-yl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C26H23N3O2 MolecularWeight: 409.47972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CC3=CC=CC=C3)C4=NC=CN=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CC3=CC=CC=C3)C4=NC=CN=C4)C(=O)O

InChI

InChI=1S/C26H23N3O2/c1-19-7-5-6-10-22(19)24-15-21(11-12-23(24)26(30)31)18-29(25-16-27-13-14-28-25)17-20-8-3-2-4-9-20/h2-16H,17-18H2,1H3,(H,30,31)