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

Systemtic Name: 3-[3-[(2,4-dimethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Openeye Name: 3-[3-[(2,4-dimethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid CAS Name: 3-[3-[(2,4-dimethylphenyl)methyl-(5-ethyl-2-pyrimidinyl)amino]propoxy]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[3-[(2,4-dimethylphenyl)methyl-(5-ethylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Traditional Name: 3-[3-[(2,4-dimethylbenzyl)-(5-ethylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Formula: C27H29N5O3 MolecularWeight: 471.55086

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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=C(C=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O3/c1-4-20-15-28-27(29-16-20)32(17-21-11-10-18(2)14-19(21)3)12-7-13-35-25-24(26(33)34)30-22-8-5-6-9-23(22)31-25/h5-6,8-11,14-16H,4,7,12-13,17H2,1-3H3,(H,33,34)