3-[3-[(5-ethylpyrimidin-2-yl)-[(4-methylphenyl)methyl]amino]propoxy]quinoxaline-2-carboxylic acid

Systemtic Name: 3-[3-[(5-ethylpyrimidin-2-yl)-[(4-methylphenyl)methyl]amino]propoxy]quinoxaline-2-carboxylic acid Openeye Name: 3-[3-[(5-ethylpyrimidin-2-yl)-(p-tolylmethyl)amino]propoxy]quinoxaline-2-carboxylic acid CAS Name: 3-[3-[(5-ethyl-2-pyrimidinyl)-[(4-methylphenyl)methyl]amino]propoxy]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[3-[(5-ethylpyrimidin-2-yl)-[(4-methylphenyl)methyl]amino]propoxy]quinoxaline-2-carboxylic acid Traditional Name: 3-[3-[(5-ethylpyrimidin-2-yl)-(4-methylbenzyl)amino]propoxy]quinoxaline-2-carboxylic acid Formula: C26H27N5O3 MolecularWeight: 457.52428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N(CCCOC2=NC3=CC=CC=C3N=C2C(=O)O)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CN=C(N=C1)N(CCCOC2=NC3=CC=CC=C3N=C2C(=O)O)CC4=CC=C(C=C4)C

InChI

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