3-[3-[(2,4-dimethylphenyl)methyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid

Systemtic Name: 3-[3-[(2,4-dimethylphenyl)methyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Openeye Name: 3-[3-[(2,4-dimethylphenyl)methyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid CAS Name: 3-[3-[(2,4-dimethylphenyl)methyl-(5-methyl-2-pyrimidinyl)amino]propoxy]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[3-[(2,4-dimethylphenyl)methyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Traditional Name: 3-[3-[(2,4-dimethylbenzyl)-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(CCCOC2=NC3=CC=CC=C3N=C2C(=O)O)C4=NC=C(C=N4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(CCCOC2=NC3=CC=CC=C3N=C2C(=O)O)C4=NC=C(C=N4)C)C

InChI

InChI=1S/C26H27N5O3/c1-17-9-10-20(19(3)13-17)16-31(26-27-14-18(2)15-28-26)11-6-12-34-24-23(25(32)33)29-21-7-4-5-8-22(21)30-24/h4-5,7-10,13-15H,6,11-12,16H2,1-3H3,(H,32,33)