3-[3-[(5-ethylpyrimidin-2-yl)-[(2-methylphenyl)methyl]amino]propoxy]quinoxaline-2-carboxylic acid

Systemtic Name: 3-[3-[(5-ethylpyrimidin-2-yl)-[(2-methylphenyl)methyl]amino]propoxy]quinoxaline-2-carboxylic acid Openeye Name: 3-[3-[(5-ethylpyrimidin-2-yl)-(o-tolylmethyl)amino]propoxy]quinoxaline-2-carboxylic acid CAS Name: 3-[3-[(5-ethyl-2-pyrimidinyl)-[(2-methylphenyl)methyl]amino]propoxy]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[3-[(5-ethylpyrimidin-2-yl)-[(2-methylphenyl)methyl]amino]propoxy]quinoxaline-2-carboxylic acid Traditional Name: 3-[3-[(5-ethylpyrimidin-2-yl)-(2-methylbenzyl)amino]propoxy]quinoxaline-2-carboxylic acid Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N(CCCOC2=NC3=CC=CC=C3N=C2C(=O)O)CC4=CC=CC=C4C

Isomeric SMILES

CCC1=CN=C(N=C1)N(CCCOC2=NC3=CC=CC=C3N=C2C(=O)O)CC4=CC=CC=C4C

InChI

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